2-methyl-3-[(E)-4-(4-nonylphenyl)but-3-en-2-yl]sulfanyl-chromen-4-one

Systemtic Name: 2-methyl-3-[(E)-4-(4-nonylphenyl)but-3-en-2-yl]sulfanyl-chromen-4-one Openeye Name: 2-methyl-3-[(E)-1-methyl-3-(4-nonylphenyl)allyl]sulfanyl-chromen-4-one CAS Name: 2-methyl-3-[[(E)-4-(4-nonylphenyl)but-3-en-2-yl]thio]-1-benzopyran-4-one IUPAC Name: 2-methyl-3-[(E)-4-(4-nonylphenyl)but-3-en-2-yl]sulfanylchromen-4-one Traditional Name: 2-methyl-3-[[(E)-1-methyl-3-(4-nonylphenyl)allyl]thio]chromone Formula: C29H36O2S MolecularWeight: 448.65994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C=CC(C)SC2=C(OC3=CC=CC=C3C2=O)C

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)/C=C/C(C)SC2=C(OC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C29H36O2S/c1-4-5-6-7-8-9-10-13-24-18-20-25(21-19-24)17-16-22(2)32-29-23(3)31-27-15-12-11-14-26(27)28(29)30/h11-12,14-22H,4-10,13H2,1-3H3/b17-16+