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

Systemtic Name: (E)-3-(4-butylsulfanyl-4-heptadecoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-butylsulfanyl-4-heptadecoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(butylthio)-4-heptadecoxy-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-butylsulfanyl-4-heptadecoxycyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(butylthio)-4-heptadecoxy-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C36H56O2S MolecularWeight: 552.89364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)SCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)SCCCC

InChI

InChI=1S/C36H56O2S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22-31-38-36(39-32-6-4-2)29-27-33(28-30-36)25-26-35(37)34-23-20-19-21-24-34/h19-21,23-30,33H,3-18,22,31-32H2,1-2H3/b26-25+