12-[[4-azanyl-5-methyl-2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-phenyl]amino]-12-oxidanylidene-dodecanoic acid

Systemtic Name: 12-[[4-azanyl-5-methyl-2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-phenyl]amino]-12-oxidanylidene-dodecanoic acid Openeye Name: 12-[4-amino-2-(4-hydroxy-4-oxo-butyl)sulfanyl-5-methyl-anilino]-12-oxo-dodecanoic acid CAS Name: 12-[4-amino-2-[(4-hydroxy-4-oxobutyl)thio]-5-methylanilino]-12-oxododecanoic acid IUPAC Name: 12-[4-amino-2-(4-hydroxy-4-oxobutyl)sulfanyl-5-methylanilino]-12-oxododecanoic acid Traditional Name: 12-[4-amino-2-[(4-hydroxy-4-keto-butyl)thio]-5-methyl-anilino]-12-keto-lauric acid Formula: C23H36N2O5S MolecularWeight: 452.60734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N)SCCCC(=O)O)NC(=O)CCCCCCCCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1N)SCCCC(=O)O)NC(=O)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C23H36N2O5S/c1-17-15-19(20(16-18(17)24)31-14-10-13-23(29)30)25-21(26)11-8-6-4-2-3-5-7-9-12-22(27)28/h15-16H,2-14,24H2,1H3,(H,25,26)(H,27,28)(H,29,30)