cobalt(3+); (2-hydroxyphenyl)methanediol; 3-(1-methylpyrrolidin-2-yl)pyridine; 2-oxidanylbenzoate

Systemtic Name: cobalt(3+); (2-hydroxyphenyl)methanediol; 3-(1-methylpyrrolidin-2-yl)pyridine; 2-oxidanylbenzoate Openeye Name: cobaltic; 2-hydroxybenzoate; (2-hydroxyphenyl)methanediol; 3-(1-methylpyrrolidin-2-yl)pyridine CAS Name: cobalt(3+); 2-hydroxybenzoate; (2-hydroxyphenyl)methanediol; 3-(1-methyl-2-pyrrolidinyl)pyridine IUPAC Name: cobalt(3+); 2-hydroxybenzoate; (2-hydroxyphenyl)methanediol; 3-(1-methylpyrrolidin-2-yl)pyridine Traditional Name: cobaltic; (2-hydroxyphenyl)methanediol; nicotine; salicylate Formula: C38H37CoN2O12 MolecularWeight: 772.63978

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=CN=CC=C2.C1=CC=C(C(=C1)C(O)O)O.C1=CC=C(C(=C1)C(=O)[O-])O.C1=CC=C(C(=C1)C(=O)[O-])O.C1=CC=C(C(=C1)C(=O)[O-])O.[Co+3]

Isomeric SMILES

CN1CCCC1C2=CN=CC=C2.C1=CC=C(C(=C1)C(O)O)O.C1=CC=C(C(=C1)C(=O)[O-])O.C1=CC=C(C(=C1)C(=O)[O-])O.C1=CC=C(C(=C1)C(=O)[O-])O.[Co+3]

InChI

InChI=1S/C10H14N2.C7H8O3.3C7H6O3.Co/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;4*8-6-4-2-1-3-5(6)7(9)10;/h2,4,6,8,10H,3,5,7H2,1H3;1-4,7-10H;3*1-4,8H,(H,9,10);/q;;;;;+3/p-3