aluminum 4-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate

Systemtic Name: aluminum 4-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate Openeye Name: aluminum 4-[(2E)-2-(2-oxo-1-naphthylidene)hydrazino]benzenesulfonate CAS Name: aluminum 4-[(2E)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]benzenesulfonate IUPAC Name: aluminum 4-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate Traditional Name: aluminum 4-[(N'E)-N'-(2-keto-1-naphthylidene)hydrazino]besylate Formula: C48H33AlN6O12S3 MolecularWeight: 1008.985158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=CC=C(C=C3)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=CC=C(C=C3)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=CC=C(C=C3)S(=O)(=O)[O-].[Al+3]

Isomeric SMILES

C1=CC=C2/C(=N\NC3=CC=C(C=C3)S(=O)(=O)[O-])/C(=O)C=CC2=C1.C1=CC=C2/C(=N\NC3=CC=C(C=C3)S(=O)(=O)[O-])/C(=O)C=CC2=C1.C1=CC=C2/C(=N\NC3=CC=C(C=C3)S(=O)(=O)[O-])/C(=O)C=CC2=C1.[Al+3]

InChI

InChI=1S/3C16H12N2O4S.Al/c3*19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22;/h3*1-10,17H,(H,20,21,22);/q;;;+3/p-3/b3*18-16+;