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

Systemtic Name: 4-(1-heptyl-4-bicyclo[2.2.2]octanyl)benzenethiol Openeye Name: 4-(1-heptyl-4-bicyclo[2.2.2]octanyl)benzenethiol CAS Name: 4-(1-heptyl-4-bicyclo[2.2.2]octanyl)benzenethiol IUPAC Name: 4-(1-heptyl-4-bicyclo[2.2.2]octanyl)benzenethiol Traditional Name: 4-(1-heptyl-4-bicyclo[2.2.2]octanyl)benzenethiol Formula: C21H32S MolecularWeight: 316.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)S

Isomeric SMILES

CCCCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)S

InChI

InChI=1S/C21H32S/c1-2-3-4-5-6-11-20-12-15-21(16-13-20,17-14-20)18-7-9-19(22)10-8-18/h7-10,22H,2-6,11-17H2,1H3