12-[[2-methyl-6-(7-oxidanyl-7-oxidanylidene-heptyl)sulfanyl-phenyl]amino]-12-oxidanylidene-dodecanoic acid

Systemtic Name: 12-[[2-methyl-6-(7-oxidanyl-7-oxidanylidene-heptyl)sulfanyl-phenyl]amino]-12-oxidanylidene-dodecanoic acid Openeye Name: 12-[2-(7-hydroxy-7-oxo-heptyl)sulfanyl-6-methyl-anilino]-12-oxo-dodecanoic acid CAS Name: 12-[2-[(7-hydroxy-7-oxoheptyl)thio]-6-methylanilino]-12-oxododecanoic acid IUPAC Name: 12-[2-(7-hydroxy-7-oxoheptyl)sulfanyl-6-methylanilino]-12-oxododecanoic acid Traditional Name: 12-[2-[(7-hydroxy-7-keto-heptyl)thio]-6-methyl-anilino]-12-keto-lauric acid Formula: C26H41NO5S MolecularWeight: 479.67244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)SCCCCCCC(=O)O)NC(=O)CCCCCCCCCCC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)SCCCCCCC(=O)O)NC(=O)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C26H41NO5S/c1-21-15-14-16-22(33-20-13-9-8-12-19-25(31)32)26(21)27-23(28)17-10-6-4-2-3-5-7-11-18-24(29)30/h14-16H,2-13,17-20H2,1H3,(H,27,28)(H,29,30)(H,31,32)