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2-Methoxy-4-[(3-oxo-1-benzothien-2(3H)-ylidene)methyl]phenyl 3,4-dinitrobenzenesulfonate
SpectraBase Compound ID LCx0jQPWl25
InChI InChI=1S/C22H14N2O9S2/c1-32-19-10-13(11-21-22(25)15-4-2-3-5-20(15)34-21)6-9-18(19)33-35(30,31)14-7-8-16(23(26)27)17(12-14)24(28)29/h2-12H,1H3/b21-11-
InChIKey MDZFLTGUBPQTPQ-NHDPSOOVSA-N
Mol Weight 514.48 g/mol
Molecular Formula C22H14N2O9S2
Exact Mass 514.014072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EaAwOPp1YXv
Name 2-Methoxy-4-[(3-oxo-1-benzothien-2(3H)-ylidene)methyl]phenyl 3,4-dinitrobenzenesulfonate
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Formula C22H14N2O9S2
InChI InChI=1S/C22H14N2O9S2/c1-32-19-10-13(11-21-22(25)15-4-2-3-5-20(15)34-21)6-9-18(19)33-35(30,31)14-7-8-16(23(26)27)17(12-14)24(28)29/h2-12H,1H3/b21-11-
InChIKey MDZFLTGUBPQTPQ-NHDPSOOVSA-N
Molecular Weight 514.479 g/mol
SMILES c1cc2S\C(=C/c3ccc(OS(c4cc(N(=O)=O)c(cc4)N(=O)=O)(=O)=O)c(c3)OC)C(c2cc1)=O
SPLASH splash10-025d-9530000000-b6731d5b80da2932479f
Synonyms 2-Methoxy-4-[(Z)-(3-oxo-1-benzothien-2(3H)-ylidene)methyl]phenyl 3,4-dinitrobenzenesulfonate 3,4-Dinitro-benzenesulfonic acid 2-methoxy-4-(3-oxo-3H-benzo[b]thiophen-2-ylidenemethyl)-phenyl ester 3,4-Dinitrobenzenesulfonic acid[2-methoxy-4-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl]ester 3,4-Dinitrobenzenesulfonic acid[4-[(Z)-(3-ketobenzothiophen-2-ylidene)methyl]-2-methoxy-phenyl]ester [2-methoxy-4-[(Z)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]phenyl]3,4-dinitrobenzenesulfonate [2-methoxy-4-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl]3,4-dinitrobenzenesulfonate [2-methoxy-4-[(Z)-(3-oxobenzothiophen-2-ylidene)methyl]phenyl]3,4-dinitrobenzenesulfonate 3,4-Dinitrobenzenesulfonic acid [2-methoxy-4-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] ester [2-methoxy-4-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 3,4-dinitrobenzenesulfonate [2-methoxy-4-[(Z)-(3-oxobenzothiophen-2-ylidene)methyl]phenyl] 3,4-dinitrobenzenesulfonate [2-methoxy-4-[(Z)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]phenyl] 3,4-dinitrobenzenesulfonate
Wiley ID 1436696