4-azanylbenzoic acid; 2-methylnaphthalene-1,4-dione; sulfite

Systemtic Name: 4-azanylbenzoic acid; 2-methylnaphthalene-1,4-dione; sulfite Openeye Name: 4-aminobenzoic acid; 2-methylnaphthalene-1,4-dione; sulfite CAS Name: 4-aminobenzoic acid; 2-methylnaphthalene-1,4-dione; sulfite IUPAC Name: 4-aminobenzoic acid; 2-methylnaphthalene-1,4-dione; sulfite Traditional Name: 4-aminobenzoic acid; menadione; sulfite Formula: C18H15NO7S-2 MolecularWeight: 389.3792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=CC=CC=C2C1=O.C1=CC(=CC=C1C(=O)O)N.[O-]S(=O)[O-]

Isomeric SMILES

CC1=CC(=O)C2=CC=CC=C2C1=O.C1=CC(=CC=C1C(=O)O)N.[O-]S(=O)[O-]

InChI

InChI=1S/C11H8O2.C7H7NO2.H2O3S/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13;8-6-3-1-5(2-4-6)7(9)10;1-4(2)3/h2-6H,1H3;1-4H,8H2,(H,9,10);(H2,1,2,3)/p-2