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3,10,18,25-Tetrathiaheptacyclo[14.14.7.2(5,8).2(20,23).1(32,36).0(12,37).0(27,31)]dotetraconta-1(31),5,7,12(37),13,15,20,22,27,29,32(42),33,35,38,40-pentadecaene-42-sulfinic acid-2'-sulfinic acid
SpectraBase Compound ID 6fS2HsQ78B0
InChI InChI=1S/C38H34O2S5/c39-45(40)38-34-8-3-9-35(38)37-32-6-2-7-33(37)25-44-21-29-16-12-27(13-17-29)19-42-23-31-5-1-4-30(36(31)34)22-41-18-26-10-14-28(15-11-26)20-43-24-32/h1-17H,18-25H2,(H,39,40)
InChIKey ZMKHVHNAJYMHLU-UHFFFAOYSA-N
Mol Weight 683.0 g/mol
Molecular Formula C38H34O2S5
Exact Mass 682.116236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jJyFhp380b
Name 3,10,18,25-Tetrathiaheptacyclo[14.14.7.2(5,8).2(20,23).1(32,36).0(12,37).0(27,31)]dotetraconta-1(31),5,7,12(37),13,15,20,22,27,29,32(42),33,35,38,40-pentadecaene-42-sulfinic acid-2'-sulfinic acid
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Formula C38H34O2S5
InChI InChI=1S/C38H34O2S5/c39-45(40)38-34-8-3-9-35(38)37-32-6-2-7-33(37)25-44-21-29-16-12-27(13-17-29)19-42-23-31-5-1-4-30(36(31)34)22-41-18-26-10-14-28(15-11-26)20-43-24-32/h1-17H,18-25H2,(H,39,40)
InChIKey ZMKHVHNAJYMHLU-UHFFFAOYSA-N
Molecular Weight 682.988 g/mol
SMILES OS(c1c2-c3c4CSCc5ccc(CSCc6c(-c1ccc2)c(CSCc1ccc(CSCc3ccc4)cc1)ccc6)cc5)=O
SPLASH splash10-03di-9004103000-3887664ed173cfe54bab
Source of Spectrum F-52-602-9
Synonyms 3,10,18,25-Tetrathiaheptacyclo[14.14.7.2(5,8).2(20,23).1(32,36).0(12,37).0(27,31)]dotetraconta-1(31),5,7,12(37),13,15,20,22,27,29,32(42),33,35,38,40-pentadecaene-42-sulfinic acid
Wiley ID 794801