6-(3-aminophenyl)sulfanyl-2-(4-nonylphenyl)-5-oxidanyl-hexanoate

Systemtic Name: 6-(3-aminophenyl)sulfanyl-2-(4-nonylphenyl)-5-oxidanyl-hexanoate Openeye Name: 6-(3-aminophenyl)sulfanyl-5-hydroxy-2-(4-nonylphenyl)hexanoate CAS Name: 6-[(3-aminophenyl)thio]-5-hydroxy-2-(4-nonylphenyl)hexanoate IUPAC Name: 6-(3-aminophenyl)sulfanyl-5-hydroxy-2-(4-nonylphenyl)hexanoate Traditional Name: 6-[(3-aminophenyl)thio]-5-hydroxy-2-(4-nonylphenyl)hexanoate Formula: C27H38NO3S- MolecularWeight: 456.66052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCC(CSC2=CC=CC(=C2)N)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCC(CSC2=CC=CC(=C2)N)O)C(=O)[O-]

InChI

InChI=1S/C27H39NO3S/c1-2-3-4-5-6-7-8-10-21-13-15-22(16-14-21)26(27(30)31)18-17-24(29)20-32-25-12-9-11-23(28)19-25/h9,11-16,19,24,26,29H,2-8,10,17-18,20,28H2,1H3,(H,30,31)/p-1