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

Systemtic Name: 12-oxidanylidene-12-[[3-(4-oxidanyl-4-oxidanylidene-butoxy)thiophen-2-yl]amino]dodecanoic acid Openeye Name: 12-[[3-(4-hydroxy-4-oxo-butoxy)-2-thienyl]amino]-12-oxo-dodecanoic acid CAS Name: 12-[[3-(4-hydroxy-4-oxobutoxy)-2-thiophenyl]amino]-12-oxododecanoic acid IUPAC Name: 12-[[3-(4-hydroxy-4-oxobutoxy)thiophen-2-yl]amino]-12-oxododecanoic acid Traditional Name: 12-[[3-(4-hydroxy-4-keto-butoxy)-2-thienyl]amino]-12-keto-lauric acid Formula: C20H31NO6S MolecularWeight: 413.52824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1OCCCC(=O)O)NC(=O)CCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CSC(=C1OCCCC(=O)O)NC(=O)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C20H31NO6S/c22-17(10-7-5-3-1-2-4-6-8-11-18(23)24)21-20-16(13-15-28-20)27-14-9-12-19(25)26/h13,15H,1-12,14H2,(H,21,22)(H,23,24)(H,25,26)