4,10-dicyano-9-(2-methylpropoxycarbonyl)perylene-3-carboxylic acid

Systemtic Name: 4,10-dicyano-9-(2-methylpropoxycarbonyl)perylene-3-carboxylic acid Openeye Name: 4,10-dicyano-9-isobutoxycarbonyl-perylene-3-carboxylic acid CAS Name: 4,10-dicyano-9-[2-methylpropoxy(oxo)methyl]-3-perylenecarboxylic acid IUPAC Name: 4,10-dicyano-9-(2-methylpropoxycarbonyl)perylene-3-carboxylic acid Traditional Name: 4,10-dicyano-9-isobutoxycarbonyl-perylene-3-carboxylic acid Formula: C28H18N2O4 MolecularWeight: 446.45352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C2C3=C4C(=CC=C(C4=C(C=C3)C#N)C(=O)O)C5=C2C1=C(C=C5)C#N

Isomeric SMILES

CC(C)COC(=O)C1=CC=C2C3=C4C(=CC=C(C4=C(C=C3)C#N)C(=O)O)C5=C2C1=C(C=C5)C#N

InChI

InChI=1S/C28H18N2O4/c1-14(2)13-34-28(33)22-10-8-20-17-5-3-15(11-29)23-21(27(31)32)9-7-19(25(17)23)18-6-4-16(12-30)24(22)26(18)20/h3-10,14H,13H2,1-2H3,(H,31,32)