2-undecan-4-yl-1-benzothiophene benzoate

Systemtic Name: 2-undecan-4-yl-1-benzothiophene benzoate Openeye Name: 2-(1-propyloctyl)benzothiophene benzoate CAS Name: 2-undecan-4-yl-1-benzothiophene benzoate IUPAC Name: 2-undecan-4-yl-1-benzothiophene benzoate Traditional Name: 2-(1-propyloctyl)benzothiophene benzoate Formula: C26H33O2S- MolecularWeight: 409.60402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCC)C1=CC2=CC=CC=C2S1.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCCC(CCC)C1=CC2=CC=CC=C2S1.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C19H28S.C7H6O2/c1-3-5-6-7-8-12-16(11-4-2)19-15-17-13-9-10-14-18(17)20-19;8-7(9)6-4-2-1-3-5-6/h9-10,13-16H,3-8,11-12H2,1-2H3;1-5H,(H,8,9)/p-1