1-[3-ethanoyl-2-heptadecyl-5-[(E)-3-phenyl-3-sulfanylidene-prop-1-enyl]phenyl]ethanone

Systemtic Name: 1-[3-ethanoyl-2-heptadecyl-5-[(E)-3-phenyl-3-sulfanylidene-prop-1-enyl]phenyl]ethanone Openeye Name: 1-[3-acetyl-2-heptadecyl-5-[(E)-3-phenyl-3-thioxo-prop-1-enyl]phenyl]ethanone CAS Name: 1-[3-acetyl-2-heptadecyl-5-[(E)-3-phenyl-3-sulfanylideneprop-1-enyl]phenyl]ethanone IUPAC Name: 1-[3-acetyl-2-heptadecyl-5-[(E)-3-phenyl-3-sulfanylideneprop-1-enyl]phenyl]ethanone Traditional Name: 1-[3-acetyl-2-heptadecyl-5-[(E)-3-phenyl-3-thioxo-prop-1-enyl]phenyl]ethanone Formula: C36H50O2S MolecularWeight: 546.846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=C(C=C(C=C1C(=O)C)C=CC(=S)C2=CC=CC=C2)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=C(C=C(C=C1C(=O)C)/C=C/C(=S)C2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C36H50O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-33-34(29(2)37)27-31(28-35(33)30(3)38)25-26-36(39)32-22-19-18-20-23-32/h18-20,22-23,25-28H,4-17,21,24H2,1-3H3/b26-25+