aluminum 7,14-bis(oxidanylidene)-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonate

Systemtic Name: aluminum 7,14-bis(oxidanylidene)-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonate Openeye Name: aluminum 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonate CAS Name: aluminum 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonate IUPAC Name: aluminum 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonate Traditional Name: aluminum 7,14-diketo-5,12-dihydroquinolin[2,3-b]acridine-2-sulfonate Formula: C60H33AlN6O15S3 MolecularWeight: 1201.111758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=C(N4)C=CC(=C5)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=C(N4)C=CC(=C5)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=C(N4)C=CC(=C5)S(=O)(=O)[O-].[Al+3]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=C(N4)C=CC(=C5)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=C(N4)C=CC(=C5)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=C(N4)C=CC(=C5)S(=O)(=O)[O-].[Al+3]

InChI

InChI=1S/3C20H12N2O5S.Al/c3*23-19-11-3-1-2-4-15(11)21-17-9-14-18(8-13(17)19)22-16-6-5-10(28(25,26)27)7-12(16)20(14)24;/h3*1-9H,(H,21,23)(H,22,24)(H,25,26,27);/q;;;+3/p-3