(E)-3-[4-(5-methylhexyl)-2-pentadecoxy-phenyl]-1-phenyl-prop-2-ene-1-thione

Systemtic Name: (E)-3-[4-(5-methylhexyl)-2-pentadecoxy-phenyl]-1-phenyl-prop-2-ene-1-thione Openeye Name: (E)-3-[4-(5-methylhexyl)-2-pentadecoxy-phenyl]-1-phenyl-prop-2-ene-1-thione CAS Name: (E)-3-[4-(5-methylhexyl)-2-pentadecoxyphenyl]-1-phenyl-2-propene-1-thione IUPAC Name: (E)-3-[4-(5-methylhexyl)-2-pentadecoxyphenyl]-1-phenylprop-2-ene-1-thione Traditional Name: (E)-3-[4-(5-methylhexyl)-2-pentadecoxy-phenyl]-1-phenyl-prop-2-ene-1-thione Formula: C37H56OS MolecularWeight: 548.90494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC1=C(C=CC(=C1)CCCCC(C)C)C=CC(=S)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCOC1=C(C=CC(=C1)CCCCC(C)C)/C=C/C(=S)C2=CC=CC=C2

InChI

InChI=1S/C37H56OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-30-38-36-31-33(23-20-19-22-32(2)3)26-27-34(36)28-29-37(39)35-24-17-16-18-25-35/h16-18,24-29,31-32H,4-15,19-23,30H2,1-3H3/b29-28+