4-(4-pentylcyclohexyl)butyl 4-phenethylbenzenesulfonate

Systemtic Name: 4-(4-pentylcyclohexyl)butyl 4-phenethylbenzenesulfonate Openeye Name: 4-(4-pentylcyclohexyl)butyl 4-phenethylbenzenesulfonate CAS Name: 4-phenethylbenzenesulfonic acid 4-(4-pentylcyclohexyl)butyl ester IUPAC Name: 4-(4-pentylcyclohexyl)butyl 4-phenethylbenzenesulfonate Traditional Name: 4-phenethylbenzenesulfonic acid 4-(4-amylcyclohexyl)butyl ester Formula: C29H42O3S MolecularWeight: 470.70698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)CCCCOS(=O)(=O)C2=CC=C(C=C2)CCC3=CC=CC=C3

Isomeric SMILES

CCCCCC1CCC(CC1)CCCCOS(=O)(=O)C2=CC=C(C=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C29H42O3S/c1-2-3-5-10-26-15-17-27(18-16-26)13-8-9-24-32-33(30,31)29-22-20-28(21-23-29)19-14-25-11-6-4-7-12-25/h4,6-7,11-12,20-23,26-27H,2-3,5,8-10,13-19,24H2,1H3