4-[[2-dodecanoyloxy-2-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)ethyl]-sulfino-amino]benzoic acid

Systemtic Name: 4-[[2-dodecanoyloxy-2-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)ethyl]-sulfino-amino]benzoic acid Openeye Name: 4-[[2-dodecanoyloxy-2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-sulfino-amino]benzoic acid CAS Name: 4-[[2-(2-hydroxy-5-oxo-2H-furan-3-yl)-2-(1-oxododecoxy)ethyl]-sulfinoamino]benzoic acid IUPAC Name: 4-[[2-dodecanoyloxy-2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-sulfinoamino]benzoic acid Traditional Name: 4-[[2-(2-hydroxy-5-keto-2H-furan-3-yl)-2-lauroyloxy-ethyl]-sulfino-amino]benzoic acid Formula: C25H35NO9S MolecularWeight: 525.6117

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC(CN(C1=CC=C(C=C1)C(=O)O)S(=O)O)C2=CC(=O)OC2O

Isomeric SMILES

CCCCCCCCCCCC(=O)OC(CN(C1=CC=C(C=C1)C(=O)O)S(=O)O)C2=CC(=O)OC2O

InChI

InChI=1S/C25H35NO9S/c1-2-3-4-5-6-7-8-9-10-11-22(27)34-21(20-16-23(28)35-25(20)31)17-26(36(32)33)19-14-12-18(13-15-19)24(29)30/h12-16,21,25,31H,2-11,17H2,1H3,(H,29,30)(H,32,33)