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4-[3-anilino-2-(benzoylamino)-3-oxo-1-propenyl]phenyl 4-methylbenzenesulfonate
SpectraBase Compound ID 6gUirftnftp
InChI InChI=1S/C29H24N2O5S/c1-21-12-18-26(19-13-21)37(34,35)36-25-16-14-22(15-17-25)20-27(29(33)30-24-10-6-3-7-11-24)31-28(32)23-8-4-2-5-9-23/h2-20H,1H3,(H,30,33)(H,31,32)/b27-20+
InChIKey TVTHJBRBTYULRM-NHFJDJAPSA-N
Mol Weight 512.58 g/mol
Molecular Formula C29H24N2O5S
Exact Mass 512.140593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1qJDS8lu5co
Name 4-[3-anilino-2-(benzoylamino)-3-oxo-1-propenyl]phenyl 4-methylbenzenesulfonate
Alternate Name(s) 4-Methylbenzenesulfonic acid[4-[(E)-3-anilino-2-benzamido-3-keto-prop-1-enyl]phenyl]ester 4-Methylbenzenesulfonic acid[4-[(E)-3-anilino-2-benzamido-3-oxoprop-1-enyl]phenyl]ester 4-[(1E)-3-anilino-2-(benzoylamino)-3-oxo-1-propenyl]phenyl 4-methylbenzenesulfonate Toluene-4-sulfonic acid 4-(2-benzoylamino-2-phenylcarbamoyl-vinyl)-phenyl ester [4-[(E)-2-benzamido-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]phenyl]4-methylbenzenesulfonate [4-[(E)-3-anilino-2-benzamido-3-oxo-prop-1-enyl]phenyl]4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [4-[(E)-3-anilino-2-benzamido-3-oxoprop-1-enyl]phenyl] ester [4-[(E)-3-anilino-2-benzamido-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate [4-[(E)-3-anilino-2-benzamido-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate [4-[(E)-2-benzamido-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]phenyl] 4-methylbenzenesulfonate
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Formula C29H24N2O5S
InChI InChI=1S/C29H24N2O5S/c1-21-12-18-26(19-13-21)37(34,35)36-25-16-14-22(15-17-25)20-27(29(33)30-24-10-6-3-7-11-24)31-28(32)23-8-4-2-5-9-23/h2-20H,1H3,(H,30,33)(H,31,32)/b27-20+
InChIKey TVTHJBRBTYULRM-NHFJDJAPSA-N
Molecular Weight 512.580 g/mol
SMILES N(C(\C(=C/c1ccc(OS(c2ccc(cc2)C)(=O)=O)cc1)NC(=O)c1ccccc1)=O)c1ccccc1
SPLASH splash10-0a4i-6900000000-1ea44dca53a0acb8f058
Wiley ID 1462413