8-azanyl-2-(4-nonylphenyl)-7-oxidanylidene-9-sulfanyl-nonanoic acid

Systemtic Name: 8-azanyl-2-(4-nonylphenyl)-7-oxidanylidene-9-sulfanyl-nonanoic acid Openeye Name: 8-amino-2-(4-nonylphenyl)-7-oxo-9-sulfanyl-nonanoic acid CAS Name: 8-amino-9-mercapto-2-(4-nonylphenyl)-7-oxononanoic acid IUPAC Name: 8-amino-2-(4-nonylphenyl)-7-oxo-9-sulfanylnonanoic acid Traditional Name: 8-amino-7-keto-9-mercapto-2-(4-nonylphenyl)pelargonic acid Formula: C24H39NO3S MolecularWeight: 421.63636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)C(CS)N)C(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)C(CS)N)C(=O)O

InChI

InChI=1S/C24H39NO3S/c1-2-3-4-5-6-7-8-11-19-14-16-20(17-15-19)21(24(27)28)12-9-10-13-23(26)22(25)18-29/h14-17,21-22,29H,2-13,18,25H2,1H3,(H,27,28)