(3-methyl-4-propan-2-yl-phenyl) 7-methylnaphthalene-2-sulfonate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 7-methylnaphthalene-2-sulfonate Openeye Name: (4-isopropyl-3-methyl-phenyl) 7-methylnaphthalene-2-sulfonate CAS Name: 7-methyl-2-naphthalenesulfonic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 7-methylnaphthalene-2-sulfonate Traditional Name: 7-methylnaphthalene-2-sulfonic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)OC3=CC(=C(C=C3)C(C)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)OC3=CC(=C(C=C3)C(C)C)C

InChI

InChI=1S/C21H22O3S/c1-14(2)21-10-8-19(12-16(21)4)24-25(22,23)20-9-7-17-6-5-15(3)11-18(17)13-20/h5-14H,1-4H3