2-[bis(5-tert-butylfuran-2-yl)methyl]-5-nitro-benzoic acid

Systemtic Name: 2-[bis(5-tert-butylfuran-2-yl)methyl]-5-nitro-benzoic acid Openeye Name: 2-[bis(5-tert-butyl-2-furyl)methyl]-5-nitro-benzoic acid CAS Name: 2-[bis(5-tert-butyl-2-furanyl)methyl]-5-nitrobenzoic acid IUPAC Name: 2-[bis(5-tert-butylfuran-2-yl)methyl]-5-nitrobenzoic acid Traditional Name: 2-[bis(5-tert-butyl-2-furyl)methyl]-5-nitro-benzoic acid Formula: C24H27NO6 MolecularWeight: 425.47428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(O1)C(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=C(O3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(O1)C(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=C(O3)C(C)(C)C

InChI

InChI=1S/C24H27NO6/c1-23(2,3)19-11-9-17(30-19)21(18-10-12-20(31-18)24(4,5)6)15-8-7-14(25(28)29)13-16(15)22(26)27/h7-13,21H,1-6H3,(H,26,27)