methyl 7-oxidanyl-7-(4-phenylsulfanyl-2-sulfanyl-phenyl)hept-5-ynoate

Systemtic Name: methyl 7-oxidanyl-7-(4-phenylsulfanyl-2-sulfanyl-phenyl)hept-5-ynoate Openeye Name: methyl 7-hydroxy-7-(4-phenylsulfanyl-2-sulfanyl-phenyl)hept-5-ynoate CAS Name: 7-hydroxy-7-[2-mercapto-4-(phenylthio)phenyl]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-hydroxy-7-(4-phenylsulfanyl-2-sulfanylphenyl)hept-5-ynoate Traditional Name: 7-hydroxy-7-[2-mercapto-4-(phenylthio)phenyl]hept-5-ynoic acid methyl ester Formula: C20H20O3S2 MolecularWeight: 372.501

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC#CC(C1=C(C=C(C=C1)SC2=CC=CC=C2)S)O

Isomeric SMILES

COC(=O)CCCC#CC(C1=C(C=C(C=C1)SC2=CC=CC=C2)S)O

InChI

InChI=1S/C20H20O3S2/c1-23-20(22)11-7-3-6-10-18(21)17-13-12-16(14-19(17)24)25-15-8-4-2-5-9-15/h2,4-5,8-9,12-14,18,21,24H,3,7,11H2,1H3