2-azanyl-3-(1H-indol-3-yl)propanoic acid; 2-methylnaphthalene-1,4-dione; sulfite

Systemtic Name: 2-azanyl-3-(1H-indol-3-yl)propanoic acid; 2-methylnaphthalene-1,4-dione; sulfite Openeye Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-methylnaphthalene-1,4-dione; sulfite CAS Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-methylnaphthalene-1,4-dione; sulfite IUPAC Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-methylnaphthalene-1,4-dione; sulfite Traditional Name: 2-amino-3-(1H-indol-3-yl)propionic acid; menadione; sulfite Formula: C22H20N2O7S-2 MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=CC=CC=C2C1=O.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.[O-]S(=O)[O-]

Isomeric SMILES

CC1=CC(=O)C2=CC=CC=C2C1=O.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.[O-]S(=O)[O-]

InChI

InChI=1S/C11H12N2O2.C11H8O2.H2O3S/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-7-6-10(12)8-4-2-3-5-9(8)11(7)13;1-4(2)3/h1-4,6,9,13H,5,12H2,(H,14,15);2-6H,1H3;(H2,1,2,3)/p-2