disodium 4-[(4-methylphenyl)sulfonylamino]-5-oxidanyl-naphthalene-2,7-disulfonate

Systemtic Name: disodium 4-[(4-methylphenyl)sulfonylamino]-5-oxidanyl-naphthalene-2,7-disulfonate Openeye Name: disodium 4-hydroxy-5-(p-tolylsulfonylamino)naphthalene-2,7-disulfonate CAS Name: disodium 4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2,7-disulfonate IUPAC Name: disodium 4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2,7-disulfonate Traditional Name: disodium 4-hydroxy-5-(tosylamino)naphthalene-2,7-disulfonate Formula: C17H13NNa2O9S3 MolecularWeight: 517.46096

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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+].[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+].[Na+]

InChI

InChI=1S/C17H15NO9S3.2Na/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;2*+1/p-2