1,4-bis(azanyl)-1-(4-heptylphenyl)-9,10-bis(oxidanylidene)-2H-anthracene-2-carboxylic acid

Systemtic Name: 1,4-bis(azanyl)-1-(4-heptylphenyl)-9,10-bis(oxidanylidene)-2H-anthracene-2-carboxylic acid Openeye Name: 1,4-diamino-1-(4-heptylphenyl)-9,10-dioxo-2H-anthracene-2-carboxylic acid CAS Name: 1,4-diamino-1-(4-heptylphenyl)-9,10-dioxo-2H-anthracene-2-carboxylic acid IUPAC Name: 1,4-diamino-1-(4-heptylphenyl)-9,10-dioxo-2H-anthracene-2-carboxylic acid Traditional Name: 1,4-diamino-1-(4-heptylphenyl)-9,10-diketo-2H-anthracene-2-carboxylic acid Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2(C(C=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)C(=O)O)N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2(C(C=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)C(=O)O)N

InChI

InChI=1S/C28H30N2O4/c1-2-3-4-5-6-9-17-12-14-18(15-13-17)28(30)21(27(33)34)16-22(29)23-24(28)26(32)20-11-8-7-10-19(20)25(23)31/h7-8,10-16,21H,2-6,9,29-30H2,1H3,(H,33,34)