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

Systemtic Name: (E)-3-(3,4-dibutoxy-4-icosylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3,4-dibutoxy-4-icosylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3,4-dibutoxy-4-(eicosylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3,4-dibutoxy-4-icosylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(arachylthio)-3,4-dibutoxy-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C43H70O3S MolecularWeight: 667.0791

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCSC1(C=CC(C=C1OCCCC)C=CC(=O)C2=CC=CC=C2)OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCSC1(C=CC(C=C1OCCCC)/C=C/C(=O)C2=CC=CC=C2)OCCCC

InChI

InChI=1S/C43H70O3S/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-37-47-43(46-36-9-6-3)34-33-39(38-42(43)45-35-8-5-2)31-32-41(44)40-29-26-25-27-30-40/h25-27,29-34,38-39H,4-24,28,35-37H2,1-3H3/b32-31+