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2-(4-ethylphenyl)sulfonyl-8-phenyl-octanoic acid

2-(4-ethylphenyl)sulfonyl-8-phenyl-octanoic acid

Systemtic Name:2-(4-ethylphenyl)sulfonyl-8-phenyl-octanoic acid
Openeye Name:2-(4-ethylphenyl)sulfonyl-8-phenyl-octanoic acid
CAS Name:2-(4-ethylphenyl)sulfonyl-8-phenyloctanoic acid
IUPAC Name:2-(4-ethylphenyl)sulfonyl-8-phenyloctanoic acid
Traditional Name:2-(4-ethylphenyl)sulfonyl-8-phenyl-caprylic acid
Formula: C22H28O4S
MolecularWeight: 388.52032
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=CC=C2)C(=O)O


Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=CC=C2)C(=O)O


InChI

InChI=1S/C22H28O4S/c1-2-18-14-16-20(17-15-18)27(25,26)21(22(23)24)13-9-4-3-6-10-19-11-7-5-8-12-19/h5,7-8,11-12,14-17,21H,2-4,6,9-10,13H2,1H3,(H,23,24)


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