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

Systemtic Name: methyl 6-(4-aminophenyl)sulfanyl-2-(4-nonylphenyl)-5-oxidanyl-hexanoate Openeye Name: methyl 6-(4-aminophenyl)sulfanyl-5-hydroxy-2-(4-nonylphenyl)hexanoate CAS Name: 6-[(4-aminophenyl)thio]-5-hydroxy-2-(4-nonylphenyl)hexanoic acid methyl ester IUPAC Name: methyl 6-(4-aminophenyl)sulfanyl-5-hydroxy-2-(4-nonylphenyl)hexanoate Traditional Name: 6-[(4-aminophenyl)thio]-5-hydroxy-2-(4-nonylphenyl)hexanoic acid methyl ester Formula: C28H41NO3S MolecularWeight: 471.69504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41NO3S/c1-3-4-5-6-7-8-9-10-22-11-13-23(14-12-22)27(28(31)32-2)20-17-25(30)21-33-26-18-15-24(29)16-19-26/h11-16,18-19,25,27,30H,3-10,17,20-21,29H2,1-2H3