aluminum 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: aluminum 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: aluminum 1-chloro-9,10-dioxo-anthracene-2-sulfonate CAS Name: aluminum 1-chloro-9,10-dioxo-2-anthracenesulfonate IUPAC Name: aluminum 1-chloro-9,10-dioxoanthracene-2-sulfonate Traditional Name: aluminum 1-chloro-9,10-diketo-anthracene-2-sulfonate Formula: C42H18AlCl3O15S3 MolecularWeight: 992.118858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)S(=O)(=O)[O-])Cl.C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)S(=O)(=O)[O-])Cl.C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)S(=O)(=O)[O-])Cl.[Al+3]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)S(=O)(=O)[O-])Cl.C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)S(=O)(=O)[O-])Cl.C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)S(=O)(=O)[O-])Cl.[Al+3]

InChI

InChI=1S/3C14H7ClO5S.Al/c3*15-12-10(21(18,19)20)6-5-9-11(12)14(17)8-4-2-1-3-7(8)13(9)16;/h3*1-6H,(H,18,19,20);/q;;;+3/p-3