12-[[2-methyl-6-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]amino]-12-oxidanylidene-dodecanoic acid

Systemtic Name: 12-[[2-methyl-6-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]amino]-12-oxidanylidene-dodecanoic acid Openeye Name: 12-[2-(4-hydroxy-4-oxo-butoxy)-6-methyl-anilino]-12-oxo-dodecanoic acid CAS Name: 12-[2-(4-hydroxy-4-oxobutoxy)-6-methylanilino]-12-oxododecanoic acid IUPAC Name: 12-[2-(4-hydroxy-4-oxobutoxy)-6-methylanilino]-12-oxododecanoic acid Traditional Name: 12-[2-(4-hydroxy-4-keto-butoxy)-6-methyl-anilino]-12-keto-lauric acid Formula: C23H35NO6 MolecularWeight: 421.5271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35NO6/c1-18-12-10-13-19(30-17-11-16-22(28)29)23(18)24-20(25)14-8-6-4-2-3-5-7-9-15-21(26)27/h10,12-13H,2-9,11,14-17H2,1H3,(H,24,25)(H,26,27)(H,28,29)