7,8-diazido-5,6-bis(oxidanylidene)naphthalene-1-sulfonic acid; 4-methylbenzene-1,2,3-triol

Systemtic Name: 7,8-diazido-5,6-bis(oxidanylidene)naphthalene-1-sulfonic acid; 4-methylbenzene-1,2,3-triol Openeye Name: 7,8-diazido-5,6-dioxo-naphthalene-1-sulfonic acid; 4-methylbenzene-1,2,3-triol CAS Name: 7,8-diazido-5,6-dioxo-1-naphthalenesulfonic acid; 4-methylbenzene-1,2,3-triol IUPAC Name: 7,8-diazido-5,6-dioxonaphthalene-1-sulfonic acid; 4-methylbenzene-1,2,3-triol Traditional Name: 7,8-diazido-5,6-diketo-naphthalene-1-sulfonic acid; 4-methylpyrogallol Formula: C17H12N6O8S MolecularWeight: 460.37758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)O)O)O.C1=CC2=C(C(=C1)S(=O)(=O)O)C(=C(C(=O)C2=O)N=[N+]=[N-])N=[N+]=[N-]

Isomeric SMILES

CC1=C(C(=C(C=C1)O)O)O.C1=CC2=C(C(=C1)S(=O)(=O)O)C(=C(C(=O)C2=O)N=[N+]=[N-])N=[N+]=[N-]

InChI

InChI=1S/C10H4N6O5S.C7H8O3/c11-15-13-7-6-4(2-1-3-5(6)22(19,20)21)9(17)10(18)8(7)14-16-12;1-4-2-3-5(8)7(10)6(4)9/h1-3H,(H,19,20,21);2-3,8-10H,1H3