4-[(2-methylphenyl)sulfonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[(2-methylphenyl)sulfonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-5-(o-tolylsulfonylamino)naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-5-[(2-methylphenyl)sulfonylamino]naphthalene-2,7-disulfonic acid IUPAC Name: 4-hydroxy-5-[(2-methylphenyl)sulfonylamino]naphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-5-(o-tolylsulfonylamino)naphthalene-2,7-disulfonic acid Formula: C17H15NO9S3 MolecularWeight: 473.4973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

InChI

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