3-acetyloxy-4,7-bis(azanyl)naphthalene-1-sulfonic acid hydrate

Systemtic Name: 3-acetyloxy-4,7-bis(azanyl)naphthalene-1-sulfonic acid hydrate Openeye Name: 3-acetoxy-4,7-diamino-naphthalene-1-sulfonic acid hydrate CAS Name: 3-acetyloxy-4,7-diamino-1-naphthalenesulfonic acid hydrate IUPAC Name: 3-acetyloxy-4,7-diaminonaphthalene-1-sulfonic acid hydrate Traditional Name: 3-acetoxy-4,7-diamino-naphthalene-1-sulfonic acid hydrate Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C2C=C(C=CC2=C1N)N)S(=O)(=O)O.O

Isomeric SMILES

CC(=O)OC1=CC(=C2C=C(C=CC2=C1N)N)S(=O)(=O)O.O

InChI

InChI=1S/C12H12N2O5S.H2O/c1-6(15)19-10-5-11(20(16,17)18)9-4-7(13)2-3-8(9)12(10)14;/h2-5H,13-14H2,1H3,(H,16,17,18);1H2