1-(4,4,5-trimethylhexan-3-yl)dibenzothiophene

Systemtic Name: 1-(4,4,5-trimethylhexan-3-yl)dibenzothiophene Openeye Name: 1-(1-ethyl-2,2,3-trimethyl-butyl)dibenzothiophene CAS Name: 1-(4,4,5-trimethylhexan-3-yl)dibenzothiophene IUPAC Name: 1-(4,4,5-trimethylhexan-3-yl)dibenzothiophene Traditional Name: 1-(1-ethyl-2,2,3-trimethyl-butyl)dibenzothiophene Formula: C21H26S MolecularWeight: 310.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C2C3=CC=CC=C3SC2=CC=C1)C(C)(C)C(C)C

Isomeric SMILES

CCC(C1=C2C3=CC=CC=C3SC2=CC=C1)C(C)(C)C(C)C

InChI

InChI=1S/C21H26S/c1-6-17(21(4,5)14(2)3)15-11-9-13-19-20(15)16-10-7-8-12-18(16)22-19/h7-14,17H,6H2,1-5H3