4-methylbenzenesulfonic acid; naphthalene-2-sulfonate

Systemtic Name: 4-methylbenzenesulfonic acid; naphthalene-2-sulfonate Openeye Name: 4-methylbenzenesulfonic acid; naphthalene-2-sulfonate CAS Name: 4-methylbenzenesulfonic acid; 2-naphthalenesulfonate IUPAC Name: 4-methylbenzenesulfonic acid; naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonate; tosylic acid Formula: C17H15O6S2- MolecularWeight: 379.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H8O3S.C7H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-7H,(H,11,12,13);2-5H,1H3,(H,8,9,10)/p-1