11-[[4-methylsulfonyl-3-(4-oxidanyl-4-oxidanylidene-butoxy)thiophen-2-yl]amino]-11-oxidanylidene-undecanoic acid

Systemtic Name: 11-[[4-methylsulfonyl-3-(4-oxidanyl-4-oxidanylidene-butoxy)thiophen-2-yl]amino]-11-oxidanylidene-undecanoic acid Openeye Name: 11-[[3-(4-hydroxy-4-oxo-butoxy)-4-methylsulfonyl-2-thienyl]amino]-11-oxo-undecanoic acid CAS Name: 11-[[3-(4-hydroxy-4-oxobutoxy)-4-methylsulfonyl-2-thiophenyl]amino]-11-oxoundecanoic acid IUPAC Name: 11-[[3-(4-hydroxy-4-oxobutoxy)-4-methylsulfonylthiophen-2-yl]amino]-11-oxoundecanoic acid Traditional Name: 11-[[3-(4-hydroxy-4-keto-butoxy)-4-mesyl-2-thienyl]amino]-11-keto-undecanoic acid Formula: C20H31NO8S2 MolecularWeight: 477.59204

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CSC(=C1OCCCC(=O)O)NC(=O)CCCCCCCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CSC(=C1OCCCC(=O)O)NC(=O)CCCCCCCCCC(=O)O

InChI

InChI=1S/C20H31NO8S2/c1-31(27,28)15-14-30-20(19(15)29-13-9-12-18(25)26)21-16(22)10-7-5-3-2-4-6-8-11-17(23)24/h14H,2-13H2,1H3,(H,21,22)(H,23,24)(H,25,26)