methyl 6-(4-ethanoyl-2-oxidanyl-phenyl)sulfanyl-2-(4-nonylphenyl)-5-oxidanyl-hexanoate

Systemtic Name: methyl 6-(4-ethanoyl-2-oxidanyl-phenyl)sulfanyl-2-(4-nonylphenyl)-5-oxidanyl-hexanoate Openeye Name: methyl 6-(4-acetyl-2-hydroxy-phenyl)sulfanyl-5-hydroxy-2-(4-nonylphenyl)hexanoate CAS Name: 6-[(4-acetyl-2-hydroxyphenyl)thio]-5-hydroxy-2-(4-nonylphenyl)hexanoic acid methyl ester IUPAC Name: methyl 6-(4-acetyl-2-hydroxyphenyl)sulfanyl-5-hydroxy-2-(4-nonylphenyl)hexanoate Traditional Name: 6-[(4-acetyl-2-hydroxy-phenyl)thio]-5-hydroxy-2-(4-nonylphenyl)hexanoic acid methyl ester Formula: C30H42O5S MolecularWeight: 514.71648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCC(CSC2=C(C=C(C=C2)C(=O)C)O)O)C(=O)OC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCC(CSC2=C(C=C(C=C2)C(=O)C)O)O)C(=O)OC

InChI

InChI=1S/C30H42O5S/c1-4-5-6-7-8-9-10-11-23-12-14-24(15-13-23)27(30(34)35-3)18-17-26(32)21-36-29-19-16-25(22(2)31)20-28(29)33/h12-16,19-20,26-27,32-33H,4-11,17-18,21H2,1-3H3