4-[9-(3,4-dimethoxyphenyl)-3-(isothiocyanatomethyl)-2,7-dimethyl-nonan-3-yl]-1,2-dimethoxy-benzene

Systemtic Name: 4-[9-(3,4-dimethoxyphenyl)-3-(isothiocyanatomethyl)-2,7-dimethyl-nonan-3-yl]-1,2-dimethoxy-benzene Openeye Name: 4-[7-(3,4-dimethoxyphenyl)-1-isopropyl-1-(isothiocyanatomethyl)-5-methyl-heptyl]-1,2-dimethoxy-benzene CAS Name: 4-[9-(3,4-dimethoxyphenyl)-3-(isothiocyanatomethyl)-2,7-dimethylnonan-3-yl]-1,2-dimethoxybenzene IUPAC Name: 4-[9-(3,4-dimethoxyphenyl)-3-(isothiocyanatomethyl)-2,7-dimethylnonan-3-yl]-1,2-dimethoxybenzene Traditional Name: 4-[7-(3,4-dimethoxyphenyl)-1-isopropyl-1-(isothiocyanatomethyl)-5-methyl-heptyl]-1,2-dimethoxy-benzene Formula: C29H41NO4S MolecularWeight: 499.70514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(C)CCC1=CC(=C(C=C1)OC)OC)(CN=C=S)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)C(CCCC(C)CCC1=CC(=C(C=C1)OC)OC)(CN=C=S)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C29H41NO4S/c1-21(2)29(19-30-20-35,24-13-15-26(32-5)28(18-24)34-7)16-8-9-22(3)10-11-23-12-14-25(31-4)27(17-23)33-6/h12-15,17-18,21-22H,8-11,16,19H2,1-7H3