(E)-3-[3-heptadecoxy-4-(6-methylheptylsulfanyl)phenyl]-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-[3-heptadecoxy-4-(6-methylheptylsulfanyl)phenyl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-[3-heptadecoxy-4-(6-methylheptylsulfanyl)phenyl]-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3-heptadecoxy-4-(6-methylheptylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[3-heptadecoxy-4-(6-methylheptylsulfanyl)phenyl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3-heptadecoxy-4-(6-methylheptylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C40H62O2S MolecularWeight: 606.98408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)C=CC(=O)C2=CC=CC=C2)SCCCCCC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=CC=C2)SCCCCCC(C)C

InChI

InChI=1S/C40H62O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-32-42-39-34-36(28-30-38(41)37-26-21-18-22-27-37)29-31-40(39)43-33-24-19-20-25-35(2)3/h18,21-22,26-31,34-35H,4-17,19-20,23-25,32-33H2,1-3H3/b30-28+