4-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonic acid

Systemtic Name: 4-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonic acid Openeye Name: 4-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonic acid CAS Name: 4-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonic acid IUPAC Name: 4-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonic acid Traditional Name: 4-(3,4,5-trimethoxybenzyl)besylic acid Formula: C16H18O6S MolecularWeight: 338.37552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C16H18O6S/c1-20-14-9-12(10-15(21-2)16(14)22-3)8-11-4-6-13(7-5-11)23(17,18)19/h4-7,9-10H,8H2,1-3H3,(H,17,18,19)