S-octyl 2-pent-1-ynylbenzenecarbothioate

Systemtic Name: S-octyl 2-pent-1-ynylbenzenecarbothioate Openeye Name: S-octyl 2-pent-1-ynylbenzenecarbothioate CAS Name: 2-pent-1-ynylbenzenecarbothioic acid S-octyl ester IUPAC Name: S-octyl 2-pent-1-ynylbenzenecarbothioate Traditional Name: 2-pent-1-ynylthiobenzoic acid S-octyl ester Formula: C20H28OS MolecularWeight: 316.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(=O)C1=CC=CC=C1C#CCCC

Isomeric SMILES

CCCCCCCCSC(=O)C1=CC=CC=C1C#CCCC

InChI

InChI=1S/C20H28OS/c1-3-5-7-8-9-13-17-22-20(21)19-16-12-11-15-18(19)14-10-6-4-2/h11-12,15-16H,3-9,13,17H2,1-2H3