(E)-3-[3,4-di(heptadecoxy)-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-[3,4-di(heptadecoxy)-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-[3,4-di(heptadecoxy)-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3,4-di(heptadecoxy)-4-(propylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[3,4-di(heptadecoxy)-4-propylsulfanylcyclohexa-2,5-dien-1-yl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3,4-di(heptadecoxy)-4-(propylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C52H88O3S MolecularWeight: 793.31832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC1=CC(C=CC1(OCCCCCCCCCCCCCCCCC)SCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC1=CC(C=CC1(OCCCCCCCCCCCCCCCCC)SCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C52H88O3S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-36-44-54-51-47-48(40-41-50(53)49-38-34-33-35-39-49)42-43-52(51,56-46-6-3)55-45-37-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h33-35,38-43,47-48H,4-32,36-37,44-46H2,1-3H3/b41-40+