2-undecan-4-yl-1-benzothiophene methanoate

Systemtic Name: 2-undecan-4-yl-1-benzothiophene methanoate Openeye Name: 2-(1-propyloctyl)benzothiophene formate CAS Name: 2-undecan-4-yl-1-benzothiophene formate IUPAC Name: 2-undecan-4-yl-1-benzothiophene formate Traditional Name: 2-(1-propyloctyl)benzothiophene formate Formula: C20H29O2S- MolecularWeight: 333.50806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28S.CH2O2/c1-3-5-6-7-8-12-16(11-4-2)19-15-17-13-9-10-14-18(17)20-19;2-1-3/h9-10,13-16H,3-8,11-12H2,1-2H3;1H,(H,2,3)/p-1