2-methyl-3-undecan-4-yl-1-benzothiophene

Systemtic Name: 2-methyl-3-undecan-4-yl-1-benzothiophene Openeye Name: 2-methyl-3-(1-propyloctyl)benzothiophene CAS Name: 2-methyl-3-undecan-4-yl-1-benzothiophene IUPAC Name: 2-methyl-3-undecan-4-yl-1-benzothiophene Traditional Name: 2-methyl-3-(1-propyloctyl)benzothiophene Formula: C20H30S MolecularWeight: 302.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCC)C1=C(SC2=CC=CC=C21)C

Isomeric SMILES

CCCCCCCC(CCC)C1=C(SC2=CC=CC=C21)C

InChI

InChI=1S/C20H30S/c1-4-6-7-8-9-13-17(12-5-2)20-16(3)21-19-15-11-10-14-18(19)20/h10-11,14-15,17H,4-9,12-13H2,1-3H3