5,5-dimethyl-8-octyl-3,4-dihydro-2H-1-benzothiepine

Systemtic Name: 5,5-dimethyl-8-octyl-3,4-dihydro-2H-1-benzothiepine Openeye Name: 5,5-dimethyl-8-octyl-3,4-dihydro-2H-1-benzothiepine CAS Name: 5,5-dimethyl-8-octyl-3,4-dihydro-2H-1-benzothiepin IUPAC Name: 5,5-dimethyl-8-octyl-3,4-dihydro-2H-1-benzothiepine Traditional Name: 5,5-dimethyl-8-octyl-3,4-dihydro-2H-1-benzothiepin Formula: C20H32S MolecularWeight: 304.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)C(CCCS2)(C)C

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)C(CCCS2)(C)C

InChI

InChI=1S/C20H32S/c1-4-5-6-7-8-9-11-17-12-13-18-19(16-17)21-15-10-14-20(18,2)3/h12-13,16H,4-11,14-15H2,1-3H3