2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethyl 2-[2-[[2,6-bis(chloranyl)phenyl]amino]phenyl]ethanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethyl 2-[2-[[2,6-bis(chloranyl)phenyl]amino]phenyl]ethanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-(1-methyl-4-nitrososulfanyl-4-piperidyl)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate CAS Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acid 2-[1-methyl-4-(nitrosothio)-4-piperidinyl]ethyl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-(1-methyl-4-nitrososulfanylpiperidin-4-yl)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate Traditional Name: citric acid; 2-[2-(2,6-dichloroanilino)phenyl]acetic acid 2-[1-methyl-4-(nitrosothio)-4-piperidyl]ethyl ester Formula: C28H33Cl2N3O10S MolecularWeight: 674.54672

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(CCOC(=O)CC2=CC=CC=C2NC3=C(C=CC=C3Cl)Cl)SN=O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN1CCC(CC1)(CCOC(=O)CC2=CC=CC=C2NC3=C(C=CC=C3Cl)Cl)SN=O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C22H25Cl2N3O3S.C6H8O7/c1-27-12-9-22(10-13-27,31-26-29)11-14-30-20(28)15-16-5-2-3-8-19(16)25-21-17(23)6-4-7-18(21)24;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-8,25H,9-15H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)