4-[(4-methylphenyl)sulfonylmethyl]-2-[(2-phenethylphenoxy)methyl]benzoic acid

Systemtic Name: 4-[(4-methylphenyl)sulfonylmethyl]-2-[(2-phenethylphenoxy)methyl]benzoic acid Openeye Name: 2-[(2-phenethylphenoxy)methyl]-4-(p-tolylsulfonylmethyl)benzoic acid CAS Name: 4-[(4-methylphenyl)sulfonylmethyl]-2-[(2-phenethylphenoxy)methyl]benzoic acid IUPAC Name: 4-[(4-methylphenyl)sulfonylmethyl]-2-[(2-phenethylphenoxy)methyl]benzoic acid Traditional Name: 2-[(2-phenethylphenoxy)methyl]-4-(tosylmethyl)benzoic acid Formula: C30H28O5S MolecularWeight: 500.60532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC(=C(C=C2)C(=O)O)COC3=CC=CC=C3CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC(=C(C=C2)C(=O)O)COC3=CC=CC=C3CCC4=CC=CC=C4

InChI

InChI=1S/C30H28O5S/c1-22-11-16-27(17-12-22)36(33,34)21-24-14-18-28(30(31)32)26(19-24)20-35-29-10-6-5-9-25(29)15-13-23-7-3-2-4-8-23/h2-12,14,16-19H,13,15,20-21H2,1H3,(H,31,32)