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

Systemtic Name: 12-[[4-methyl-3-(5-oxidanyl-5-oxidanylidene-pentoxy)thiophen-2-yl]amino]-12-oxidanylidene-dodecanoic acid Openeye Name: 12-[[3-(5-hydroxy-5-oxo-pentoxy)-4-methyl-2-thienyl]amino]-12-oxo-dodecanoic acid CAS Name: 12-[[3-(5-hydroxy-5-oxopentoxy)-4-methyl-2-thiophenyl]amino]-12-oxododecanoic acid IUPAC Name: 12-[[3-(5-hydroxy-5-oxopentoxy)-4-methylthiophen-2-yl]amino]-12-oxododecanoic acid Traditional Name: 12-[[3-(5-hydroxy-5-keto-pentoxy)-4-methyl-2-thienyl]amino]-12-keto-lauric acid Formula: C22H35NO6S MolecularWeight: 441.5814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1OCCCCC(=O)O)NC(=O)CCCCCCCCCCC(=O)O

Isomeric SMILES

CC1=CSC(=C1OCCCCC(=O)O)NC(=O)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C22H35NO6S/c1-17-16-30-22(21(17)29-15-11-10-14-20(27)28)23-18(24)12-8-6-4-2-3-5-7-9-13-19(25)26/h16H,2-15H2,1H3,(H,23,24)(H,25,26)(H,27,28)