1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid; 4-azanyl-3,5,6-tris(chloranyl)pyridine-2-carboxylic acid

Systemtic Name: 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid; 4-azanyl-3,5,6-tris(chloranyl)pyridine-2-carboxylic acid Openeye Name: 4-amino-3,5,6-trichloro-pyridine-2-carboxylic acid; 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid CAS Name: 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid; 4-amino-3,5,6-trichloro-2-pyridinecarboxylic acid IUPAC Name: 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid; 4-amino-3,5,6-trichloropyridine-2-carboxylic acid Traditional Name: 4-amino-3,5,6-trichloro-picolinic acid; 7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid Formula: C26H33Cl3N2O4 MolecularWeight: 543.91022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C.C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N

Isomeric SMILES

CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C.C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N

InChI

InChI=1S/C20H30O2.C6H3Cl3N2O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;7-1-3(10)2(8)5(9)11-4(1)6(12)13/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);(H2,10,11)(H,12,13)