12-[[4-methyl-3-(4-oxidanyl-4-oxidanylidene-butoxy)-5-phenyl-thiophen-2-yl]amino]-12-oxidanylidene-dodecanoic acid

Systemtic Name: 12-[[4-methyl-3-(4-oxidanyl-4-oxidanylidene-butoxy)-5-phenyl-thiophen-2-yl]amino]-12-oxidanylidene-dodecanoic acid Openeye Name: 12-[[3-(4-hydroxy-4-oxo-butoxy)-4-methyl-5-phenyl-2-thienyl]amino]-12-oxo-dodecanoic acid CAS Name: 12-[[3-(4-hydroxy-4-oxobutoxy)-4-methyl-5-phenyl-2-thiophenyl]amino]-12-oxododecanoic acid IUPAC Name: 12-[[3-(4-hydroxy-4-oxobutoxy)-4-methyl-5-phenylthiophen-2-yl]amino]-12-oxododecanoic acid Traditional Name: 12-[[3-(4-hydroxy-4-keto-butoxy)-4-methyl-5-phenyl-2-thienyl]amino]-12-keto-lauric acid Formula: C27H37NO6S MolecularWeight: 503.65078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1OCCCC(=O)O)NC(=O)CCCCCCCCCCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(SC(=C1OCCCC(=O)O)NC(=O)CCCCCCCCCCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C27H37NO6S/c1-20-25(34-19-13-18-24(32)33)27(35-26(20)21-14-9-8-10-15-21)28-22(29)16-11-6-4-2-3-5-7-12-17-23(30)31/h8-10,14-15H,2-7,11-13,16-19H2,1H3,(H,28,29)(H,30,31)(H,32,33)