(E)-3-[3,4-bis(oxidanyl)phenyl]-N-(4-tetradecylsulfanylphenyl)prop-2-enamide

Systemtic Name: (E)-3-[3,4-bis(oxidanyl)phenyl]-N-(4-tetradecylsulfanylphenyl)prop-2-enamide Openeye Name: (E)-3-(3,4-dihydroxyphenyl)-N-(4-tetradecylsulfanylphenyl)prop-2-enamide CAS Name: (E)-3-(3,4-dihydroxyphenyl)-N-[4-(tetradecylthio)phenyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)-N-(4-tetradecylsulfanylphenyl)prop-2-enamide Traditional Name: (E)-3-(3,4-dihydroxyphenyl)-N-[4-(myristylthio)phenyl]acrylamide Formula: C29H41NO3S MolecularWeight: 483.70574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCSC1=CC=C(C=C1)NC(=O)C=CC2=CC(=C(C=C2)O)O

Isomeric SMILES

CCCCCCCCCCCCCCSC1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C29H41NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-34-26-18-16-25(17-19-26)30-29(33)21-15-24-14-20-27(31)28(32)23-24/h14-21,23,31-32H,2-13,22H2,1H3,(H,30,33)/b21-15+