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

Systemtic Name: 12-[[5-chloranyl-3-(5-oxidanyl-5-oxidanylidene-pentoxy)thiophen-2-yl]amino]-12-oxidanylidene-dodecanoic acid Openeye Name: 12-[[5-chloro-3-(5-hydroxy-5-oxo-pentoxy)-2-thienyl]amino]-12-oxo-dodecanoic acid CAS Name: 12-[[5-chloro-3-(5-hydroxy-5-oxopentoxy)-2-thiophenyl]amino]-12-oxododecanoic acid IUPAC Name: 12-[[5-chloro-3-(5-hydroxy-5-oxopentoxy)thiophen-2-yl]amino]-12-oxododecanoic acid Traditional Name: 12-[[5-chloro-3-(5-hydroxy-5-keto-pentoxy)-2-thienyl]amino]-12-keto-lauric acid Formula: C21H32ClNO6S MolecularWeight: 461.99988

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1OCCCCC(=O)O)NC(=O)CCCCCCCCCCC(=O)O)Cl

Isomeric SMILES

C1=C(SC(=C1OCCCCC(=O)O)NC(=O)CCCCCCCCCCC(=O)O)Cl

InChI

InChI=1S/C21H32ClNO6S/c22-17-15-16(29-14-10-9-13-20(27)28)21(30-17)23-18(24)11-7-5-3-1-2-4-6-8-12-19(25)26/h15H,1-14H2,(H,23,24)(H,25,26)(H,27,28)