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

Systemtic Name: 2-[(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)-(1-pentoxypropyl)amino]butane-1,2,3,4-tetracarboxylic acid Openeye Name: 2-[(4-hydroxy-4-oxo-3-sulfo-butanoyl)-(1-pentoxypropyl)amino]butane-1,2,3,4-tetracarboxylic acid CAS Name: 2-[(4-hydroxy-1,4-dioxo-3-sulfobutyl)-(1-pentoxypropyl)amino]butane-1,2,3,4-tetracarboxylic acid IUPAC Name: 2-[(4-hydroxy-4-oxo-3-sulfobutanoyl)-(1-pentoxypropyl)amino]butane-1,2,3,4-tetracarboxylic acid Traditional Name: 2-[1-amoxypropyl-(4-hydroxy-4-keto-3-sulfo-butanoyl)amino]butane-1,2,3,4-tetracarboxylic acid Formula: C20H31NO15S MolecularWeight: 557.52284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO15S/c1-3-5-6-7-36-14(4-2)21(13(22)9-12(18(29)30)37(33,34)35)20(19(31)32,10-16(25)26)11(17(27)28)8-15(23)24/h11-12,14H,3-10H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34,35)