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

Systemtic Name: (E)-3-(4-butylsulfanyl-3,4,5-trioctadecoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-butylsulfanyl-3,4,5-trioctadecoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(butylthio)-3,4,5-trioctadecoxy-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-butylsulfanyl-3,4,5-trioctadecoxycyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(butylthio)-3,4,5-tristearyloxy-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C73H130O4S MolecularWeight: 1103.8759

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(C=C(C1(OCCCCCCCCCCCCCCCCCC)SCCCC)OCCCCCCCCCCCCCCCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(C=C(C1(OCCCCCCCCCCCCCCCCCC)SCCCC)OCCCCCCCCCCCCCCCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C73H130O4S/c1-5-9-13-16-19-22-25-28-31-34-37-40-43-46-49-55-62-75-71-66-68(60-61-70(74)69-58-53-52-54-59-69)67-72(76-63-56-50-47-44-41-38-35-32-29-26-23-20-17-14-10-6-2)73(71,78-65-12-8-4)77-64-57-51-48-45-42-39-36-33-30-27-24-21-18-15-11-7-3/h52-54,58-61,66-68H,5-51,55-57,62-65H2,1-4H3/b61-60+