1-phenyl-3-sulfanylidene-icosan-1-one

Systemtic Name: 1-phenyl-3-sulfanylidene-icosan-1-one Openeye Name: 1-phenyl-3-thioxo-icosan-1-one CAS Name: 1-phenyl-3-sulfanylidene-1-eicosanone IUPAC Name: 1-phenyl-3-sulfanylideneicosan-1-one Traditional Name: 1-phenyl-3-thioxo-eicosan-1-one Formula: C26H42OS MolecularWeight: 402.67608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=S)CC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=S)CC(=O)C1=CC=CC=C1

InChI

InChI=1S/C26H42OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(28)23-26(27)24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3