disodium (4-methylphenyl)methanedisulfonate

Systemtic Name: disodium (4-methylphenyl)methanedisulfonate Openeye Name: disodium p-tolylmethanedisulfonate CAS Name: disodium (4-methylphenyl)methanedisulfonate IUPAC Name: disodium (4-methylphenyl)methanedisulfonate Traditional Name: disodium p-tolylmethanedisulfonate Formula: C8H8Na2O6S2 MolecularWeight: 310.25506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C(S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C8H10O6S2.2Na/c1-6-2-4-7(5-3-6)8(15(9,10)11)16(12,13)14;;/h2-5,8H,1H3,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2