(E)-3-(4-butylsulfanyl-4-docosoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-butylsulfanyl-4-docosoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-butylsulfanyl-4-docosoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(butylthio)-4-docosoxy-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-butylsulfanyl-4-docosoxycyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-behenyloxy-4-(butylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C41H66O2S MolecularWeight: 623.02654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)SCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)SCCCC

InChI

InChI=1S/C41H66O2S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-36-43-41(44-37-6-4-2)34-32-38(33-35-41)30-31-40(42)39-28-25-24-26-29-39/h24-26,28-35,38H,3-23,27,36-37H2,1-2H3/b31-30+