6-(4-nonylphenyl)-6-[3-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-hexanoic acid

Systemtic Name: 6-(4-nonylphenyl)-6-[3-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-hexanoic acid Openeye Name: 6-[3-[(3-hydroxy-3-oxo-propanoyl)amino]phenyl]sulfanyl-6-(4-nonylphenyl)hexanoic acid CAS Name: 6-[[3-[(3-hydroxy-1,3-dioxopropyl)amino]phenyl]thio]-6-(4-nonylphenyl)hexanoic acid IUPAC Name: 6-[3-[(3-hydroxy-3-oxopropanoyl)amino]phenyl]sulfanyl-6-(4-nonylphenyl)hexanoic acid Traditional Name: 6-[[3-[(3-hydroxy-3-keto-propanoyl)amino]phenyl]thio]-6-(4-nonylphenyl)hexanoic acid Formula: C30H41NO5S MolecularWeight: 527.71524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41NO5S/c1-2-3-4-5-6-7-8-12-23-17-19-24(20-18-23)27(15-9-10-16-29(33)34)37-26-14-11-13-25(21-26)31-28(32)22-30(35)36/h11,13-14,17-21,27H,2-10,12,15-16,22H2,1H3,(H,31,32)(H,33,34)(H,35,36)