(E)-3-(3,5-diethanoyl-4-heptadecylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(3,5-diethanoyl-4-heptadecylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3,5-diacetyl-4-heptadecylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3,5-diacetyl-4-(heptadecylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3,5-diacetyl-4-heptadecylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3,5-diacetyl-4-(heptadecylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C36H50O3S MolecularWeight: 562.8454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCSC1=C(C=C(C=C1C(=O)C)C=CC(=O)C2=CC=CC=C2)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCSC1=C(C=C(C=C1C(=O)C)/C=C/C(=O)C2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C36H50O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-40-36-33(29(2)37)27-31(28-34(36)30(3)38)24-25-35(39)32-22-19-18-20-23-32/h18-20,22-25,27-28H,4-17,21,26H2,1-3H3/b25-24+