3,5-bis(2-ethylhexyl)-4-nitro-phthalic acid

Systemtic Name: 3,5-bis(2-ethylhexyl)-4-nitro-phthalic acid Openeye Name: 3,5-bis(2-ethylhexyl)-4-nitro-phthalic acid CAS Name: 3,5-bis(2-ethylhexyl)-4-nitrophthalic acid IUPAC Name: 3,5-bis(2-ethylhexyl)-4-nitrophthalic acid Traditional Name: 3,5-bis(2-ethylhexyl)-4-nitro-phthalic acid Formula: C24H37NO6 MolecularWeight: 435.55368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=C(C(=C(C(=C1)C(=O)O)C(=O)O)CC(CC)CCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCC(CC)CC1=C(C(=C(C(=C1)C(=O)O)C(=O)O)CC(CC)CCCC)[N+](=O)[O-]

InChI

InChI=1S/C24H37NO6/c1-5-9-11-16(7-3)13-18-15-20(23(26)27)21(24(28)29)19(22(18)25(30)31)14-17(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3,(H,26,27)(H,28,29)