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

Systemtic Name: 12-[[5-(methylamino)-3-(4-oxidanyl-4-oxidanylidene-butoxy)thiophen-2-yl]amino]-12-oxidanylidene-dodecanoic acid Openeye Name: 12-[[3-(4-hydroxy-4-oxo-butoxy)-5-(methylamino)-2-thienyl]amino]-12-oxo-dodecanoic acid CAS Name: 12-[[3-(4-hydroxy-4-oxobutoxy)-5-(methylamino)-2-thiophenyl]amino]-12-oxododecanoic acid IUPAC Name: 12-[[3-(4-hydroxy-4-oxobutoxy)-5-(methylamino)thiophen-2-yl]amino]-12-oxododecanoic acid Traditional Name: 12-[[3-(4-hydroxy-4-keto-butoxy)-5-(methylamino)-2-thienyl]amino]-12-keto-lauric acid Formula: C21H34N2O6S MolecularWeight: 442.56946

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=C(S1)NC(=O)CCCCCCCCCCC(=O)O)OCCCC(=O)O

Isomeric SMILES

CNC1=CC(=C(S1)NC(=O)CCCCCCCCCCC(=O)O)OCCCC(=O)O

InChI

InChI=1S/C21H34N2O6S/c1-22-18-15-16(29-14-10-13-20(27)28)21(30-18)23-17(24)11-8-6-4-2-3-5-7-9-12-19(25)26/h15,22H,2-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)