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

Systemtic Name: (E)-3-(4-henicosylsulfanyl-4-heptoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-henicosylsulfanyl-4-heptoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(heneicosylthio)-4-heptoxy-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-henicosylsulfanyl-4-heptoxycyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(heneicosylthio)-4-heptoxy-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C43H70O2S MolecularWeight: 651.0797

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCSC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)OCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCSC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)OCCCCCCC

InChI

InChI=1S/C43H70O2S/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29-39-46-43(45-38-28-23-8-6-4-2)36-34-40(35-37-43)32-33-42(44)41-30-26-25-27-31-41/h25-27,30-37,40H,3-24,28-29,38-39H2,1-2H3/b33-32+