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

Systemtic Name: (E)-3-(4-icosylsulfanyl-3,4-dipropoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-icosylsulfanyl-3,4-dipropoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(eicosylthio)-3,4-dipropoxy-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-icosylsulfanyl-3,4-dipropoxycyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(arachylthio)-3,4-dipropoxy-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C41H66O3S MolecularWeight: 639.02594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCSC1(C=CC(C=C1OCCC)C=CC(=O)C2=CC=CC=C2)OCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCSC1(C=CC(C=C1OCCC)/C=C/C(=O)C2=CC=CC=C2)OCCC

InChI

InChI=1S/C41H66O3S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-35-45-41(44-34-6-3)32-31-37(36-40(41)43-33-5-2)29-30-39(42)38-27-24-23-25-28-38/h23-25,27-32,36-37H,4-22,26,33-35H2,1-3H3/b30-29+