O3-(3-chloranyl-2-methyl-butyl) O1-phenyl 4-(3-nitro-4-octoxy-phenyl)benzene-1,3-dicarboxylate

Systemtic Name: O3-(3-chloranyl-2-methyl-butyl) O1-phenyl 4-(3-nitro-4-octoxy-phenyl)benzene-1,3-dicarboxylate Openeye Name: O3-(3-chloro-2-methyl-butyl) O1-phenyl 4-(3-nitro-4-octoxy-phenyl)benzene-1,3-dicarboxylate CAS Name: 4-(3-nitro-4-octoxyphenyl)benzene-1,3-dicarboxylic acid O3-(3-chloro-2-methylbutyl) ester O1-phenyl ester IUPAC Name: 3-O-(3-chloro-2-methylbutyl) 1-O-phenyl 4-(3-nitro-4-octoxyphenyl)benzene-1,3-dicarboxylate Traditional Name: 4-(3-nitro-4-octoxy-phenyl)benzene-1,3-dicarboxylic acid O3-(3-chloro-2-methyl-butyl) ester O1-phenyl ester Formula: C33H38ClNO7 MolecularWeight: 596.11032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)C(C)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)C(C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C33H38ClNO7/c1-4-5-6-7-8-12-19-40-31-18-16-25(21-30(31)35(38)39)28-17-15-26(32(36)42-27-13-10-9-11-14-27)20-29(28)33(37)41-22-23(2)24(3)34/h9-11,13-18,20-21,23-24H,4-8,12,19,22H2,1-3H3