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

Systemtic Name: 2-[octyl-(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]butanedioic acid Openeye Name: 2-[(4-hydroxy-4-oxo-3-sulfo-butanoyl)-octyl-amino]butanedioic acid CAS Name: 2-[(4-hydroxy-1,4-dioxo-3-sulfobutyl)-octylamino]butanedioic acid IUPAC Name: 2-[(4-hydroxy-4-oxo-3-sulfobutanoyl)-octylamino]butanedioic acid Traditional Name: 2-[(4-hydroxy-4-keto-3-sulfo-butanoyl)-octyl-amino]succinic acid Formula: C16H27NO10S MolecularWeight: 425.45128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C(CC(=O)O)C(=O)O)C(=O)CC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCN(C(CC(=O)O)C(=O)O)C(=O)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H27NO10S/c1-2-3-4-5-6-7-8-17(11(15(21)22)9-14(19)20)13(18)10-12(16(23)24)28(25,26)27/h11-12H,2-10H2,1H3,(H,19,20)(H,21,22)(H,23,24)(H,25,26,27)