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

Systemtic Name: (E)-3-(4-heptadecylsulfanyl-3-methoxy-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-heptadecylsulfanyl-3-methoxy-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(heptadecylthio)-3-methoxyphenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-heptadecylsulfanyl-3-methoxyphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(heptadecylthio)-3-methoxy-phenyl]-1-phenyl-prop-2-en-1-one Formula: C33H48O2S MolecularWeight: 508.79802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H48O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-36-33-26-24-29(28-32(33)35-2)23-25-31(34)30-21-18-17-19-22-30/h17-19,21-26,28H,3-16,20,27H2,1-2H3/b25-23+