3-[2-[(4-carboxyphenyl)-sulfinato-amino]-1-dodecanoyloxy-ethyl]-2-oxidanyl-5-oxidanylidene-2H-furan

Systemtic Name: 3-[2-[(4-carboxyphenyl)-sulfinato-amino]-1-dodecanoyloxy-ethyl]-2-oxidanyl-5-oxidanylidene-2H-furan Openeye Name: 3-[2-(4-carboxy-N-sulfinato-anilino)-1-dodecanoyloxy-ethyl]-2-hydroxy-5-oxo-2H-furan CAS Name: 3-[2-(4-carboxy-N-sulfinatoanilino)-1-(1-oxododecoxy)ethyl]-2-hydroxy-5-oxo-2H-furan IUPAC Name: 3-[2-(4-carboxy-N-sulfinatoanilino)-1-dodecanoyloxyethyl]-2-hydroxy-5-oxo-2H-furan Traditional Name: 3-[2-(4-carboxy-N-sulfinato-anilino)-1-lauroyloxy-ethyl]-2-hydroxy-5-keto-2H-furan Formula: C25H34NO9S- MolecularWeight: 524.60376

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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)/p-1