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

Systemtic Name: (E)-3-(4-heptadecylsulfanyl-2,3-dimethoxy-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-heptadecylsulfanyl-2,3-dimethoxy-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(heptadecylthio)-2,3-dimethoxyphenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-heptadecylsulfanyl-2,3-dimethoxyphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(heptadecylthio)-2,3-dimethoxy-phenyl]-1-phenyl-prop-2-en-1-one Formula: C34H50O3S MolecularWeight: 538.824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCSC1=C(C(=C(C=C1)C=CC(=O)C2=CC=CC=C2)OC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCSC1=C(C(=C(C=C1)/C=C/C(=O)C2=CC=CC=C2)OC)OC

InChI

InChI=1S/C34H50O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-38-32-27-25-30(33(36-2)34(32)37-3)24-26-31(35)29-22-19-18-20-23-29/h18-20,22-27H,4-17,21,28H2,1-3H3/b26-24+