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7-(4-chlorophenyl)-2-(6-phenylhexylsulfonyl)heptanoic acid

7-(4-chlorophenyl)-2-(6-phenylhexylsulfonyl)heptanoic acid

Systemtic Name:7-(4-chlorophenyl)-2-(6-phenylhexylsulfonyl)heptanoic acid
Openeye Name:7-(4-chlorophenyl)-2-(6-phenylhexylsulfonyl)heptanoic acid
CAS Name:7-(4-chlorophenyl)-2-(6-phenylhexylsulfonyl)heptanoic acid
IUPAC Name:7-(4-chlorophenyl)-2-(6-phenylhexylsulfonyl)heptanoic acid
Traditional Name:7-(4-chlorophenyl)-2-(6-phenylhexylsulfonyl)enanthic acid
Formula: C25H33ClO4S
MolecularWeight: 465.04512
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCS(=O)(=O)C(CCCCCC2=CC=C(C=C2)Cl)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CCCCCCS(=O)(=O)C(CCCCCC2=CC=C(C=C2)Cl)C(=O)O


InChI

InChI=1S/C25H33ClO4S/c26-23-18-16-22(17-19-23)14-8-4-9-15-24(25(27)28)31(29,30)20-10-2-1-5-11-21-12-6-3-7-13-21/h3,6-7,12-13,16-19,24H,1-2,4-5,8-11,14-15,20H2,(H,27,28)


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