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

Systemtic Name: (E)-3-(4-butylsulfanyl-4-henicosoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-butylsulfanyl-4-henicosoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(butylthio)-4-heneicosoxy-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-butylsulfanyl-4-henicosoxycyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(butylthio)-4-heneicosoxy-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C40H64O2S MolecularWeight: 608.99996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCOC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)SCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCOC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)SCCCC

InChI

InChI=1S/C40H64O2S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-35-42-40(43-36-6-4-2)33-31-37(32-34-40)29-30-39(41)38-27-24-23-25-28-38/h23-25,27-34,37H,3-22,26,35-36H2,1-2H3/b30-29+