O4-[4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] O1-[2-(2-nitrososulfanyl-2-adamantyl)ethyl] butanedioate

Systemtic Name: O4-[4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] O1-[2-(2-nitrososulfanyl-2-adamantyl)ethyl] butanedioate Openeye Name: O4-[4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] O1-[2-(2-nitrososulfanyl-2-adamantyl)ethyl] butanedioate CAS Name: butanedioic acid O4-[4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] ester O1-[2-[2-(nitrosothio)-2-adamantyl]ethyl] ester IUPAC Name: 4-O-[4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] 1-O-[2-(2-nitrososulfanyl-2-adamantyl)ethyl] butanedioate Traditional Name: succinic acid O4-[4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] ester O1-[2-[2-(nitrosothio)-2-adamantyl]ethyl] ester Formula: C30H44N2O6S MolecularWeight: 560.74516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N2O6S/c1-19(2)25-18-26(20(3)12-27(25)36-11-9-32(4)5)38-29(34)7-6-28(33)37-10-8-30(39-31-35)23-14-21-13-22(16-23)17-24(30)15-21/h12,18-19,21-24H,6-11,13-17H2,1-5H3