2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonate; 2,4,6-trioctoxybenzenediazonium

Systemtic Name: 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonate; 2,4,6-trioctoxybenzenediazonium Openeye Name: 5-benzoyl-4-hydroxy-2-methoxy-benzenesulfonate; 2,4,6-trioctoxybenzenediazonium CAS Name: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate; 2,4,6-trioctoxybenzenediazonium IUPAC Name: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate; 2,4,6-trioctoxybenzenediazonium Traditional Name: 5-benzoyl-4-hydroxy-2-methoxy-besylate; 2,4,6-trioctoxybenzenediazonium Formula: C44H64N2O9S MolecularWeight: 797.05196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C(=C1)OCCCCCCCC)[N+]#N)OCCCCCCCC.COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C(=C1)OCCCCCCCC)[N+]#N)OCCCCCCCC.COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C30H53N2O3.C14H12O6S/c1-4-7-10-13-16-19-22-33-27-25-28(34-23-20-17-14-11-8-5-2)30(32-31)29(26-27)35-24-21-18-15-12-9-6-3;1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h25-26H,4-24H2,1-3H3;2-8,15H,1H3,(H,17,18,19)/q+1;/p-1