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3-(4-methoxyphenyl)sulfonyl-3,7-diphenyl-heptanoic acid

3-(4-methoxyphenyl)sulfonyl-3,7-diphenyl-heptanoic acid

Systemtic Name:3-(4-methoxyphenyl)sulfonyl-3,7-diphenyl-heptanoic acid
Openeye Name:3-(4-methoxyphenyl)sulfonyl-3,7-diphenyl-heptanoic acid
CAS Name:3-(4-methoxyphenyl)sulfonyl-3,7-diphenylheptanoic acid
IUPAC Name:3-(4-methoxyphenyl)sulfonyl-3,7-diphenylheptanoic acid
Traditional Name:3-(4-methoxyphenyl)sulfonyl-3,7-diphenyl-enanthic acid
Formula: C26H28O5S
MolecularWeight: 452.56252
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(CCCCC2=CC=CC=C2)(CC(=O)O)C3=CC=CC=C3


Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C(CCCCC2=CC=CC=C2)(CC(=O)O)C3=CC=CC=C3


InChI

InChI=1S/C26H28O5S/c1-31-23-15-17-24(18-16-23)32(29,30)26(20-25(27)28,22-13-6-3-7-14-22)19-9-8-12-21-10-4-2-5-11-21/h2-7,10-11,13-18H,8-9,12,19-20H2,1H3,(H,27,28)


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