7,8-diazido-5,6-bis(oxidanylidene)naphthalene-1-sulfonic acid; propyl 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: 7,8-diazido-5,6-bis(oxidanylidene)naphthalene-1-sulfonic acid; propyl 3,4,5-tris(oxidanyl)benzoate Openeye Name: 7,8-diazido-5,6-dioxo-naphthalene-1-sulfonic acid; propyl 3,4,5-trihydroxybenzoate CAS Name: 7,8-diazido-5,6-dioxo-1-naphthalenesulfonic acid; 3,4,5-trihydroxybenzoic acid propyl ester IUPAC Name: 7,8-diazido-5,6-dioxonaphthalene-1-sulfonic acid; propyl 3,4,5-trihydroxybenzoate Traditional Name: 7,8-diazido-5,6-diketo-naphthalene-1-sulfonic acid; 3,4,5-trihydroxybenzoic acid propyl ester Formula: C20H16N6O10S MolecularWeight: 532.44024

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=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

CCCOC(=O)C1=CC(=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.C10H12O5/c11-15-13-7-6-4(2-1-3-5(6)22(19,20)21)9(17)10(18)8(7)14-16-12;1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h1-3H,(H,19,20,21);4-5,11-13H,2-3H2,1H3