(2-butan-2-yl-4,6-dinitro-phenyl) 3-methylbut-2-enoate; 2-(2-chlorophenyl)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: (2-butan-2-yl-4,6-dinitro-phenyl) 3-methylbut-2-enoate; 2-(2-chlorophenyl)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: 2-(2-chlorophenyl)-2-hydroxy-2-phenyl-acetate; (2,4-dinitro-6-sec-butyl-phenyl) 3-methylbut-2-enoate CAS Name: 2-(2-chlorophenyl)-2-hydroxy-2-phenylacetate; 3-methyl-2-butenoic acid (2-butan-2-yl-4,6-dinitrophenyl) ester IUPAC Name: (2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate; 2-(2-chlorophenyl)-2-hydroxy-2-phenylacetate Traditional Name: 2-(2-chlorophenyl)-2-hydroxy-2-phenyl-acetate; 3-methylbut-2-enoic acid (2,4-dinitro-6-sec-butyl-phenyl) ester Formula: C29H28ClN2O9- MolecularWeight: 583.99362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1OC(=O)C=C(C)C)[N+](=O)[O-])[N+](=O)[O-].C1=CC=C(C=C1)C(C2=CC=CC=C2Cl)(C(=O)[O-])O

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1OC(=O)C=C(C)C)[N+](=O)[O-])[N+](=O)[O-].C1=CC=C(C=C1)C(C2=CC=CC=C2Cl)(C(=O)[O-])O

InChI

InChI=1S/C15H18N2O6.C14H11ClO3/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3;15-12-9-5-4-8-11(12)14(18,13(16)17)10-6-2-1-3-7-10/h6-8,10H,5H2,1-4H3;1-9,18H,(H,16,17)/p-1