12-[[5-methyl-2-(7-oxidanyl-7-oxidanylidene-heptyl)sulfanyl-phenyl]amino]-12-oxidanylidene-dodecanoic acid

Systemtic Name: 12-[[5-methyl-2-(7-oxidanyl-7-oxidanylidene-heptyl)sulfanyl-phenyl]amino]-12-oxidanylidene-dodecanoic acid Openeye Name: 12-[2-(7-hydroxy-7-oxo-heptyl)sulfanyl-5-methyl-anilino]-12-oxo-dodecanoic acid CAS Name: 12-[2-[(7-hydroxy-7-oxoheptyl)thio]-5-methylanilino]-12-oxododecanoic acid IUPAC Name: 12-[2-(7-hydroxy-7-oxoheptyl)sulfanyl-5-methylanilino]-12-oxododecanoic acid Traditional Name: 12-[2-[(7-hydroxy-7-keto-heptyl)thio]-5-methyl-anilino]-12-keto-lauric acid Formula: C26H41NO5S MolecularWeight: 479.67244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H41NO5S/c1-21-17-18-23(33-19-13-9-8-12-16-26(31)32)22(20-21)27-24(28)14-10-6-4-2-3-5-7-11-15-25(29)30/h17-18,20H,2-16,19H2,1H3,(H,27,28)(H,29,30)(H,31,32)