[3-(2,3-dimethylphenyl)phenyl] pentane-1-sulfonate

Systemtic Name: [3-(2,3-dimethylphenyl)phenyl] pentane-1-sulfonate Openeye Name: [3-(2,3-dimethylphenyl)phenyl] pentane-1-sulfonate CAS Name: 1-pentanesulfonic acid IUPAC Name: [3-(2,3-dimethylphenyl)phenyl] pentane-1-sulfonate Traditional Name: pentane-1-sulfonic acid [3-(2,3-dimethylphenyl)phenyl] ester Formula: C19H24O3S MolecularWeight: 332.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)OC1=CC=CC(=C1)C2=C(C(=CC=C2)C)C

Isomeric SMILES

CCCCCS(=O)(=O)OC1=CC=CC(=C1)C2=C(C(=CC=C2)C)C

InChI

InChI=1S/C19H24O3S/c1-4-5-6-13-23(20,21)22-18-11-8-10-17(14-18)19-12-7-9-15(2)16(19)3/h7-12,14H,4-6,13H2,1-3H3