S-[2-(2-hydroxyethylcarbamoyl)-4-nitro-phenyl] 3,7-dimethyloct-6-enethioate

Systemtic Name: S-[2-(2-hydroxyethylcarbamoyl)-4-nitro-phenyl] 3,7-dimethyloct-6-enethioate Openeye Name: S-[2-(2-hydroxyethylcarbamoyl)-4-nitro-phenyl] 3,7-dimethyloct-6-enethioate CAS Name: 3,7-dimethyl-6-octenethioic acid S-[2-[(2-hydroxyethylamino)-oxomethyl]-4-nitrophenyl] ester IUPAC Name: S-[2-(2-hydroxyethylcarbamoyl)-4-nitrophenyl] 3,7-dimethyloct-6-enethioate Traditional Name: 3,7-dimethyloct-6-enethioic acid S-[2-(2-hydroxyethylcarbamoyl)-4-nitro-phenyl] ester Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)CC(=O)SC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCO

Isomeric SMILES

CC(CCC=C(C)C)CC(=O)SC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCO

InChI

InChI=1S/C19H26N2O5S/c1-13(2)5-4-6-14(3)11-18(23)27-17-8-7-15(21(25)26)12-16(17)19(24)20-9-10-22/h5,7-8,12,14,22H,4,6,9-11H2,1-3H3,(H,20,24)