12-oxidanylidene-12-[[2-[3-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylpyridin-4-yl]phenyl]amino]dodecanoic acid

Systemtic Name: 12-oxidanylidene-12-[[2-[3-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylpyridin-4-yl]phenyl]amino]dodecanoic acid Openeye Name: 12-[2-[3-(4-hydroxy-4-oxo-butyl)sulfanyl-4-pyridyl]anilino]-12-oxo-dodecanoic acid CAS Name: 12-[2-[3-[(4-hydroxy-4-oxobutyl)thio]-4-pyridinyl]anilino]-12-oxododecanoic acid IUPAC Name: 12-[2-[3-(4-hydroxy-4-oxobutyl)sulfanylpyridin-4-yl]anilino]-12-oxododecanoic acid Traditional Name: 12-[2-[3-[(4-hydroxy-4-keto-butyl)thio]-4-pyridyl]anilino]-12-keto-lauric acid Formula: C27H36N2O5S MolecularWeight: 500.65014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C=NC=C2)SCCCC(=O)O)NC(=O)CCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C=NC=C2)SCCCC(=O)O)NC(=O)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C27H36N2O5S/c30-25(14-7-5-3-1-2-4-6-8-15-26(31)32)29-23-13-10-9-12-21(23)22-17-18-28-20-24(22)35-19-11-16-27(33)34/h9-10,12-13,17-18,20H,1-8,11,14-16,19H2,(H,29,30)(H,31,32)(H,33,34)