ethanedioate; (3R,4R,5R)-3,4,5,6-tetrakis(oxidanyl)-1-[2-(5-oxidanyl-1H-indol-3-yl)ethylamino]hexan-2-one

Systemtic Name: ethanedioate; (3R,4R,5R)-3,4,5,6-tetrakis(oxidanyl)-1-[2-(5-oxidanyl-1H-indol-3-yl)ethylamino]hexan-2-one Openeye Name: oxalate; (3R,4R,5R)-3,4,5,6-tetrahydroxy-1-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]hexan-2-one CAS Name: oxalate; (3R,4R,5R)-3,4,5,6-tetrahydroxy-1-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-2-hexanone IUPAC Name: oxalate; (3R,4R,5R)-3,4,5,6-tetrahydroxy-1-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]hexan-2-one Traditional Name: oxalate; (3R,4R,5R)-3,4,5,6-tetrahydroxy-1-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]hexan-2-one Formula: C18H22N2O10-2 MolecularWeight: 426.37468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)C(=CN2)CCNCC(=O)C(C(C(CO)O)O)O.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1=CC2=C(C=C1O)C(=CN2)CCNCC(=O)[C@@H]([C@@H]([C@@H](CO)O)O)O.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C16H22N2O6.C2H2O4/c19-8-14(22)16(24)15(23)13(21)7-17-4-3-9-6-18-12-2-1-10(20)5-11(9)12;3-1(4)2(5)6/h1-2,5-6,14-20,22-24H,3-4,7-8H2;(H,3,4)(H,5,6)/p-2/t14-,15+,16-;/m1./s1