2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 2-methylnaphthalene-1,4-dione; sulfite

Systemtic Name: 2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 2-methylnaphthalene-1,4-dione; sulfite Openeye Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-methylnaphthalene-1,4-dione; sulfite CAS Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-methylnaphthalene-1,4-dione; sulfite IUPAC Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-methylnaphthalene-1,4-dione; sulfite Traditional Name: 2-amino-3-(1H-imidazol-5-yl)propionic acid; menadione; sulfite Formula: C17H17N3O7S-2 MolecularWeight: 407.39778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=CC=CC=C2C1=O.C1=C(NC=N1)CC(C(=O)O)N.[O-]S(=O)[O-]

Isomeric SMILES

CC1=CC(=O)C2=CC=CC=C2C1=O.C1=C(NC=N1)CC(C(=O)O)N.[O-]S(=O)[O-]

InChI

InChI=1S/C11H8O2.C6H9N3O2.H2O3S/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13;7-5(6(10)11)1-4-2-8-3-9-4;1-4(2)3/h2-6H,1H3;2-3,5H,1,7H2,(H,8,9)(H,10,11);(H2,1,2,3)/p-2