3-[(2-methoxyphenyl)methylsulfonyl]-5-methyl-benzoic acid

Systemtic Name: 3-[(2-methoxyphenyl)methylsulfonyl]-5-methyl-benzoic acid Openeye Name: 3-[(2-methoxyphenyl)methylsulfonyl]-5-methyl-benzoic acid CAS Name: 3-[(2-methoxyphenyl)methylsulfonyl]-5-methylbenzoic acid IUPAC Name: 3-[(2-methoxyphenyl)methylsulfonyl]-5-methylbenzoic acid Traditional Name: 3-methyl-5-o-anisylsulfonyl-benzoic acid Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)O)S(=O)(=O)CC2=CC=CC=C2OC

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)O)S(=O)(=O)CC2=CC=CC=C2OC

InChI

InChI=1S/C16H16O5S/c1-11-7-13(16(17)18)9-14(8-11)22(19,20)10-12-5-3-4-6-15(12)21-2/h3-9H,10H2,1-2H3,(H,17,18)