disodium 4-(4-methylphenyl)sulfonyloxynaphthalene-2,7-disulfonate

Systemtic Name: disodium 4-(4-methylphenyl)sulfonyloxynaphthalene-2,7-disulfonate Openeye Name: disodium 4-(p-tolylsulfonyloxy)naphthalene-2,7-disulfonate CAS Name: disodium 4-(4-methylphenyl)sulfonyloxynaphthalene-2,7-disulfonate IUPAC Name: disodium 4-(4-methylphenyl)sulfonyloxynaphthalene-2,7-disulfonate Traditional Name: disodium 4-tosyloxynaphthalene-2,7-disulfonate Formula: C17H12Na2O9S3 MolecularWeight: 502.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CC(=CC3=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CC(=CC3=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C17H14O9S3.2Na/c1-11-2-4-13(5-3-11)29(24,25)26-17-10-15(28(21,22)23)9-12-8-14(27(18,19)20)6-7-16(12)17;;/h2-10H,1H3,(H,18,19,20)(H,21,22,23);;/q;2*+1/p-2