3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzenesulfonic acid

Systemtic Name: 3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzenesulfonic acid Openeye Name: 3-[[4-(p-tolylmethyl)phenyl]methyl]benzenesulfonic acid CAS Name: 3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzenesulfonic acid IUPAC Name: 3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzenesulfonic acid Traditional Name: 3-[4-(4-methylbenzyl)benzyl]besylic acid Formula: C21H20O3S MolecularWeight: 352.4467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=CC=C(C=C2)CC3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CC2=CC=C(C=C2)CC3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C21H20O3S/c1-16-5-7-17(8-6-16)13-18-9-11-19(12-10-18)14-20-3-2-4-21(15-20)25(22,23)24/h2-12,15H,13-14H2,1H3,(H,22,23,24)