2-[12-[(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]dodecyl]butanedioic acid

Systemtic Name: 2-[12-[(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]dodecyl]butanedioic acid Openeye Name: 2-[12-[(4-hydroxy-4-oxo-3-sulfo-butanoyl)amino]dodecyl]butanedioic acid CAS Name: 2-[12-[(4-hydroxy-1,4-dioxo-3-sulfobutyl)amino]dodecyl]butanedioic acid IUPAC Name: 2-[12-[(4-hydroxy-4-oxo-3-sulfobutanoyl)amino]dodecyl]butanedioic acid Traditional Name: 2-[12-[(4-hydroxy-4-keto-3-sulfo-butanoyl)amino]dodecyl]succinic acid Formula: C20H35NO10S MolecularWeight: 481.5576

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)O)CCCCCC(CC(=O)O)C(=O)O

Isomeric SMILES

C(CCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)O)CCCCCC(CC(=O)O)C(=O)O

InChI

InChI=1S/C20H35NO10S/c22-17(14-16(20(27)28)32(29,30)31)21-12-10-8-6-4-2-1-3-5-7-9-11-15(19(25)26)13-18(23)24/h15-16H,1-14H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30,31)