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

Systemtic Name: (E)-3-(2,4-diethoxy-4-nonadecylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(2,4-diethoxy-4-nonadecylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[2,4-diethoxy-4-(nonadecylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(2,4-diethoxy-4-nonadecylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[2,4-diethoxy-4-(nonadecylthio)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:

CCCCCCCCCCCCCCCCCCCSC1(C=CC(C(=C1)OCC)C=CC(=O)C2=CC=CC=C2)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCSC1(C=CC(C(=C1)OCC)/C=C/C(=O)C2=CC=CC=C2)OCC

InChI

InChI=1S/C38H60O3S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-32-42-38(41-6-3)31-30-35(37(33-38)40-5-2)28-29-36(39)34-26-23-22-24-27-34/h22-24,26-31,33,35H,4-21,25,32H2,1-3H3/b29-28+