O5-[4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] O1-[2-(2-nitrososulfanyl-2-adamantyl)ethyl] pentanedioate

Systemtic Name: O5-[4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] O1-[2-(2-nitrososulfanyl-2-adamantyl)ethyl] pentanedioate Openeye Name: O5-[4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] O1-[2-(2-nitrososulfanyl-2-adamantyl)ethyl] pentanedioate CAS Name: pentanedioic acid O5-[4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] ester O1-[2-[2-(nitrosothio)-2-adamantyl]ethyl] ester IUPAC Name: 5-O-[4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] 1-O-[2-(2-nitrososulfanyl-2-adamantyl)ethyl] pentanedioate Traditional Name: glutaric acid O5-[4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] ester O1-[2-[2-(nitrosothio)-2-adamantyl]ethyl] ester Formula: C31H46N2O6S MolecularWeight: 574.77174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC(=O)CCCC(=O)OCCC2(C3CC4CC(C3)CC2C4)SN=O)C(C)C)OCCN(C)C

Isomeric SMILES

CC1=CC(=C(C=C1OC(=O)CCCC(=O)OCCC2(C3CC4CC(C3)CC2C4)SN=O)C(C)C)OCCN(C)C

InChI

InChI=1S/C31H46N2O6S/c1-20(2)26-19-27(21(3)13-28(26)37-12-10-33(4)5)39-30(35)8-6-7-29(34)38-11-9-31(40-32-36)24-15-22-14-23(17-24)18-25(31)16-22/h13,19-20,22-25H,6-12,14-18H2,1-5H3