sodium 5-[(4-methylphenyl)sulfonylamino]-4-oxidanyl-7-sulfo-naphthalene-2-sulfonate

Systemtic Name: sodium 5-[(4-methylphenyl)sulfonylamino]-4-oxidanyl-7-sulfo-naphthalene-2-sulfonate Openeye Name: sodium 4-hydroxy-5-(p-tolylsulfonylamino)-7-sulfo-naphthalene-2-sulfonate CAS Name: sodium 4-hydroxy-5-[(4-methylphenyl)sulfonylamino]-7-sulfo-2-naphthalenesulfonate IUPAC Name: sodium 4-hydroxy-5-[(4-methylphenyl)sulfonylamino]-7-sulfonaphthalene-2-sulfonate Traditional Name: sodium 4-hydroxy-7-sulfo-5-(tosylamino)naphthalene-2-sulfonate Formula: C17H14NNaO9S3 MolecularWeight: 495.47913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H15NO9S3.Na/c1-10-2-4-12(5-3-10)28(20,21)18-15-8-13(29(22,23)24)6-11-7-14(30(25,26)27)9-16(19)17(11)15;/h2-9,18-19H,1H3,(H,22,23,24)(H,25,26,27);/q;+1/p-1