3-methyl-4-[3-(4-methylphenyl)-1-sulfonyl-propoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 3-methyl-4-[3-(4-methylphenyl)-1-sulfonyl-propoxy]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-3-methyl-4-[3-(p-tolyl)-1-sulfonyl-propoxy]benzoic acid CAS Name: 2-hydroxy-3-methyl-4-[3-(4-methylphenyl)-1-sulfonylpropoxy]benzoic acid IUPAC Name: 2-hydroxy-3-methyl-4-[3-(4-methylphenyl)-1-sulfonylpropoxy]benzoic acid Traditional Name: 2-hydroxy-3-methyl-4-[3-(p-tolyl)-1-sulfonyl-propoxy]benzoic acid Formula: C18H18O6S MolecularWeight: 362.39692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=S(=O)=O)OC2=C(C(=C(C=C2)C(=O)O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=S(=O)=O)OC2=C(C(=C(C=C2)C(=O)O)O)C

InChI

InChI=1S/C18H18O6S/c1-11-3-5-13(6-4-11)7-10-16(25(22)23)24-15-9-8-14(18(20)21)17(19)12(15)2/h3-6,8-9,19H,7,10H2,1-2H3,(H,20,21)