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

Systemtic Name: 2-[decyl-(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]butanedioic acid Openeye Name: 2-[decyl-(4-hydroxy-4-oxo-3-sulfo-butanoyl)amino]butanedioic acid CAS Name: 2-[decyl-(4-hydroxy-1,4-dioxo-3-sulfobutyl)amino]butanedioic acid IUPAC Name: 2-[decyl-(4-hydroxy-4-oxo-3-sulfobutanoyl)amino]butanedioic acid Traditional Name: 2-[decyl-(4-hydroxy-4-keto-3-sulfo-butanoyl)amino]succinic acid Formula: C18H31NO10S MolecularWeight: 453.50444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN(C(CC(=O)O)C(=O)O)C(=O)CC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCN(C(CC(=O)O)C(=O)O)C(=O)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H31NO10S/c1-2-3-4-5-6-7-8-9-10-19(13(17(23)24)11-16(21)22)15(20)12-14(18(25)26)30(27,28)29/h13-14H,2-12H2,1H3,(H,21,22)(H,23,24)(H,25,26)(H,27,28,29)