ethanedioic acid; 1H-indol-3-ylmethanamine; hydrate

Systemtic Name: ethanedioic acid; 1H-indol-3-ylmethanamine; hydrate Openeye Name: 1H-indol-3-ylmethanamine; oxalic acid; hydrate CAS Name: 1H-indol-3-ylmethanamine; oxalic acid; hydrate IUPAC Name: 1H-indol-3-ylmethanamine; oxalic acid; hydrate Traditional Name: 1H-indol-3-ylmethylamine; oxalic acid; hydrate Formula: C11H14N2O5 MolecularWeight: 254.23926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CN.C(=O)(C(=O)O)O.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CN.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C9H10N2.C2H2O4.H2O/c10-5-7-6-11-9-4-2-1-3-8(7)9;3-1(4)2(5)6;/h1-4,6,11H,5,10H2;(H,3,4)(H,5,6);1H2