4-(4-methylphenyl)sulfonyloxynaphthalene-2,7-disulfonic acid

Systemtic Name: 4-(4-methylphenyl)sulfonyloxynaphthalene-2,7-disulfonic acid Openeye Name: 4-(p-tolylsulfonyloxy)naphthalene-2,7-disulfonic acid CAS Name: 4-(4-methylphenyl)sulfonyloxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-(4-methylphenyl)sulfonyloxynaphthalene-2,7-disulfonic acid Traditional Name: 4-tosyloxynaphthalene-2,7-disulfonic acid Formula: C17H14O9S3 MolecularWeight: 458.48266

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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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CC(=CC3=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H14O9S3/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)