2,3-bis(oxidanyl)butanedioic acid; 2-[(3-chlorophenyl)-imidazol-1-yl-methyl]adamantan-2-ol

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 2-[(3-chlorophenyl)-imidazol-1-yl-methyl]adamantan-2-ol Openeye Name: 2-[(3-chlorophenyl)-imidazol-1-yl-methyl]adamantan-2-ol; 2,3-dihydroxybutanedioic acid CAS Name: 2-[(3-chlorophenyl)-(1-imidazolyl)methyl]-2-adamantanol; 2,3-dihydroxybutanedioic acid IUPAC Name: 2-[(3-chlorophenyl)-imidazol-1-ylmethyl]adamantan-2-ol; 2,3-dihydroxybutanedioic acid Traditional Name: 2-[(3-chlorophenyl)-imidazol-1-yl-methyl]adamantan-2-ol; tartaric acid Formula: C24H29ClN2O7 MolecularWeight: 492.94926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3(C(C4=CC(=CC=C4)Cl)N5C=CN=C5)O.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3(C(C4=CC(=CC=C4)Cl)N5C=CN=C5)O.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C20H23ClN2O.C4H6O6/c21-18-3-1-2-15(11-18)19(23-5-4-22-12-23)20(24)16-7-13-6-14(9-16)10-17(20)8-13;5-1(3(7)8)2(6)4(9)10/h1-5,11-14,16-17,19,24H,6-10H2;1-2,5-6H,(H,7,8)(H,9,10)