3,4,9,10-tetraaminocarbonyl-1-[4-azanylidene-2,3-bis(oxidanyl)butanimidoyl]oxy-perylene-2-carboxylic acid

Systemtic Name: 3,4,9,10-tetraaminocarbonyl-1-[4-azanylidene-2,3-bis(oxidanyl)butanimidoyl]oxy-perylene-2-carboxylic acid Openeye Name: 3,4,9,10-tetracarbamoyl-1-(2,3-dihydroxy-4-imino-butanimidoyl)oxy-perylene-2-carboxylic acid CAS Name: 3,4,9,10-tetracarbamoyl-1-(2,3-dihydroxy-1,4-diiminobutoxy)-2-perylenecarboxylic acid IUPAC Name: 3,4,9,10-tetracarbamoyl-1-(2,3-dihydroxy-4-iminobutanimidoyl)oxyperylene-2-carboxylic acid Traditional Name: 3,4,9,10-tetracarbamoyl-1-(2,3-dihydroxy-4-imino-butanimidoyl)oxy-perylene-2-carboxylic acid Formula: C29H22N6O9 MolecularWeight: 598.51978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=CC=C3C2=C1C4=C5C3=C(C(=C(C5=C(C=C4)C(=O)N)C(=O)N)C(=O)O)OC(=N)C(C(C=N)O)O)C(=O)N)C(=O)N

Isomeric SMILES

C1=CC(=C2C(=CC=C3C2=C1C4=C5C3=C(C(=C(C5=C(C=C4)C(=O)N)C(=O)N)C(=O)O)OC(=N)C(C(C=N)O)O)C(=O)N)C(=O)N

InChI

InChI=1S/C29H22N6O9/c30-7-14(36)22(37)28(35)44-23-19-10-3-6-12(25(32)39)16-11(24(31)38)4-1-8(15(10)16)9-2-5-13(26(33)40)18(17(9)19)20(27(34)41)21(23)29(42)43/h1-7,14,22,30,35-37H,(H2,31,38)(H2,32,39)(H2,33,40)(H2,34,41)(H,42,43)