trisodium 6,7-bis(oxidanyl)naphthalene-2-sulfonate

Systemtic Name: trisodium 6,7-bis(oxidanyl)naphthalene-2-sulfonate Openeye Name: trisodium 6,7-dihydroxynaphthalene-2-sulfonate CAS Name: trisodium 6,7-dihydroxy-2-naphthalenesulfonate IUPAC Name: trisodium 6,7-dihydroxynaphthalene-2-sulfonate Traditional Name: trisodium 6,7-dihydroxynaphthalene-2-sulfonate Formula: C30H21Na3O15S3 MolecularWeight: 786.64305

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=CC(=C(C=C21)O)O)S(=O)(=O)[O-].C1=CC(=CC2=CC(=C(C=C21)O)O)S(=O)(=O)[O-].C1=CC(=CC2=CC(=C(C=C21)O)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC2=CC(=C(C=C21)O)O)S(=O)(=O)[O-].C1=CC(=CC2=CC(=C(C=C21)O)O)S(=O)(=O)[O-].C1=CC(=CC2=CC(=C(C=C21)O)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/3C10H8O5S.3Na/c3*11-9-4-6-1-2-8(16(13,14)15)3-7(6)5-10(9)12;;;/h3*1-5,11-12H,(H,13,14,15);;;/q;;;3*+1/p-3