2-[(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)-(1-pentoxypropyl)amino]butanedioic acid

Systemtic Name: 2-[(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)-(1-pentoxypropyl)amino]butanedioic acid Openeye Name: 2-[(4-hydroxy-4-oxo-3-sulfo-butanoyl)-(1-pentoxypropyl)amino]butanedioic acid CAS Name: 2-[(4-hydroxy-1,4-dioxo-3-sulfobutyl)-(1-pentoxypropyl)amino]butanedioic acid IUPAC Name: 2-[(4-hydroxy-4-oxo-3-sulfobutanoyl)-(1-pentoxypropyl)amino]butanedioic acid Traditional Name: 2-[1-amoxypropyl-(4-hydroxy-4-keto-3-sulfo-butanoyl)amino]succinic acid Formula: C16H27NO11S MolecularWeight: 441.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(CC)N(C(CC(=O)O)C(=O)O)C(=O)CC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCOC(CC)N(C(CC(=O)O)C(=O)O)C(=O)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H27NO11S/c1-3-5-6-7-28-13(4-2)17(10(15(21)22)8-14(19)20)12(18)9-11(16(23)24)29(25,26)27/h10-11,13H,3-9H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)(H,25,26,27)