methanal; 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonate; 4-phenylazanylbenzenediazonium

Systemtic Name: methanal; 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonate; 4-phenylazanylbenzenediazonium Openeye Name: 4-anilinobenzenediazonium; 5-benzoyl-4-hydroxy-2-methoxy-benzenesulfonate; formaldehyde CAS Name: 4-anilinobenzenediazonium; 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate; formaldehyde IUPAC Name: 4-anilinobenzenediazonium; 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate; formaldehyde Traditional Name: 4-anilinobenzenediazonium; 5-benzoyl-4-hydroxy-2-methoxy-besylate; formaldehyde Formula: C27H23N3O7S MolecularWeight: 533.55242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)[O-].C=O.C1=CC=C(C=C1)NC2=CC=C(C=C2)[N+]#N

Isomeric SMILES

COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)[O-].C=O.C1=CC=C(C=C1)NC2=CC=C(C=C2)[N+]#N

InChI

InChI=1S/C14H12O6S.C12H10N3.CH2O/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9;13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10;1-2/h2-8,15H,1H3,(H,17,18,19);1-9,14H;1H2/q;+1;/p-1