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2-[2-(4-tert-butylphenyl)ethylsulfonyl]-7-phenyl-heptanoic acid

2-[2-(4-tert-butylphenyl)ethylsulfonyl]-7-phenyl-heptanoic acid

Systemtic Name:2-[2-(4-tert-butylphenyl)ethylsulfonyl]-7-phenyl-heptanoic acid
Openeye Name:2-[2-(4-tert-butylphenyl)ethylsulfonyl]-7-phenyl-heptanoic acid
CAS Name:2-[2-(4-tert-butylphenyl)ethylsulfonyl]-7-phenylheptanoic acid
IUPAC Name:2-[2-(4-tert-butylphenyl)ethylsulfonyl]-7-phenylheptanoic acid
Traditional Name:2-[2-(4-tert-butylphenyl)ethylsulfonyl]-7-phenyl-enanthic acid
Formula: C25H34O4S
MolecularWeight: 430.60006
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCS(=O)(=O)C(CCCCCC2=CC=CC=C2)C(=O)O


Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCS(=O)(=O)C(CCCCCC2=CC=CC=C2)C(=O)O


InChI

InChI=1S/C25H34O4S/c1-25(2,3)22-16-14-21(15-17-22)18-19-30(28,29)23(24(26)27)13-9-5-8-12-20-10-6-4-7-11-20/h4,6-7,10-11,14-17,23H,5,8-9,12-13,18-19H2,1-3H3,(H,26,27)


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