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

Systemtic Name: (E)-3-(3,4-didecoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3,4-didecoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3,4-didecoxy-4-(propylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3,4-didecoxy-4-propylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3,4-didecoxy-4-(propylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C38H60O3S MolecularWeight: 596.9462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(C=CC1(OCCCCCCCCCC)SCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCOC1=CC(C=CC1(OCCCCCCCCCC)SCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C38H60O3S/c1-4-7-9-11-13-15-17-22-30-40-37-33-34(26-27-36(39)35-24-20-19-21-25-35)28-29-38(37,42-32-6-3)41-31-23-18-16-14-12-10-8-5-2/h19-21,24-29,33-34H,4-18,22-23,30-32H2,1-3H3/b27-26+