6-(4-ethanoyl-3-oxidanyl-phenyl)sulfanyl-6-(4-nonylphenyl)hexanoic acid

Systemtic Name: 6-(4-ethanoyl-3-oxidanyl-phenyl)sulfanyl-6-(4-nonylphenyl)hexanoic acid Openeye Name: 6-(4-acetyl-3-hydroxy-phenyl)sulfanyl-6-(4-nonylphenyl)hexanoic acid CAS Name: 6-[(4-acetyl-3-hydroxyphenyl)thio]-6-(4-nonylphenyl)hexanoic acid IUPAC Name: 6-(4-acetyl-3-hydroxyphenyl)sulfanyl-6-(4-nonylphenyl)hexanoic acid Traditional Name: 6-[(4-acetyl-3-hydroxy-phenyl)thio]-6-(4-nonylphenyl)hexanoic acid Formula: C29H40O4S MolecularWeight: 484.6905

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)O)SC2=CC(=C(C=C2)C(=O)C)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)O)SC2=CC(=C(C=C2)C(=O)C)O

InChI

InChI=1S/C29H40O4S/c1-3-4-5-6-7-8-9-12-23-15-17-24(18-16-23)28(13-10-11-14-29(32)33)34-25-19-20-26(22(2)30)27(31)21-25/h15-21,28,31H,3-14H2,1-2H3,(H,32,33)