sodium 5-azanyl-4-(phenylsulfonyloxy)-7-sulfo-naphthalene-2-sulfonate

Systemtic Name: sodium 5-azanyl-4-(phenylsulfonyloxy)-7-sulfo-naphthalene-2-sulfonate Openeye Name: sodium 5-amino-4-(benzenesulfonyloxy)-7-sulfo-naphthalene-2-sulfonate CAS Name: sodium 5-amino-4-(benzenesulfonyloxy)-7-sulfo-2-naphthalenesulfonate IUPAC Name: sodium 5-amino-4-(benzenesulfonyloxy)-7-sulfonaphthalene-2-sulfonate Traditional Name: sodium 5-amino-4-besyloxy-7-sulfo-naphthalene-2-sulfonate Formula: C16H12NNaO9S3 MolecularWeight: 481.45255

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC3=CC(=CC(=C32)N)S(=O)(=O)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC3=CC(=CC(=C32)N)S(=O)(=O)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H13NO9S3.Na/c17-14-8-12(27(18,19)20)6-10-7-13(28(21,22)23)9-15(16(10)14)26-29(24,25)11-4-2-1-3-5-11;/h1-9H,17H2,(H,18,19,20)(H,21,22,23);/q;+1/p-1