4-(1-butyl-4-bicyclo[2.2.2]octanyl)benzenethiol

Systemtic Name: 4-(1-butyl-4-bicyclo[2.2.2]octanyl)benzenethiol Openeye Name: 4-(1-butyl-4-bicyclo[2.2.2]octanyl)benzenethiol CAS Name: 4-(1-butyl-4-bicyclo[2.2.2]octanyl)benzenethiol IUPAC Name: 4-(1-butyl-4-bicyclo[2.2.2]octanyl)benzenethiol Traditional Name: 4-(1-butyl-4-bicyclo[2.2.2]octanyl)benzenethiol Formula: C18H26S MolecularWeight: 274.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)S

Isomeric SMILES

CCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)S

InChI

InChI=1S/C18H26S/c1-2-3-8-17-9-12-18(13-10-17,14-11-17)15-4-6-16(19)7-5-15/h4-7,19H,2-3,8-14H2,1H3