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3-[(2-methylphenyl)methyl]-4-[3-(4-methylphenyl)sulfonylpropoxy]-2-oxidanyl-benzoic acid

3-[(2-methylphenyl)methyl]-4-[3-(4-methylphenyl)sulfonylpropoxy]-2-oxidanyl-benzoic acid

Systemtic Name:3-[(2-methylphenyl)methyl]-4-[3-(4-methylphenyl)sulfonylpropoxy]-2-oxidanyl-benzoic acid
Openeye Name:2-hydroxy-3-(o-tolylmethyl)-4-[3-(p-tolylsulfonyl)propoxy]benzoic acid
CAS Name:2-hydroxy-3-[(2-methylphenyl)methyl]-4-[3-(4-methylphenyl)sulfonylpropoxy]benzoic acid
IUPAC Name:2-hydroxy-3-[(2-methylphenyl)methyl]-4-[3-(4-methylphenyl)sulfonylpropoxy]benzoic acid
Traditional Name:2-hydroxy-3-(2-methylbenzyl)-4-(3-tosylpropoxy)benzoic acid
Formula: C25H26O6S
MolecularWeight: 454.53534
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCOC2=C(C(=C(C=C2)C(=O)O)O)CC3=CC=CC=C3C


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCOC2=C(C(=C(C=C2)C(=O)O)O)CC3=CC=CC=C3C


InChI

InChI=1S/C25H26O6S/c1-17-8-10-20(11-9-17)32(29,30)15-5-14-31-23-13-12-21(25(27)28)24(26)22(23)16-19-7-4-3-6-18(19)2/h3-4,6-13,26H,5,14-16H2,1-2H3,(H,27,28)


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