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

Systemtic Name: 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonate; 2,4,6-trihexoxybenzenediazonium Openeye Name: 5-benzoyl-4-hydroxy-2-methoxy-benzenesulfonate; 2,4,6-trihexoxybenzenediazonium CAS Name: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate; 2,4,6-trihexoxybenzenediazonium IUPAC Name: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate; 2,4,6-trihexoxybenzenediazonium Traditional Name: 5-benzoyl-4-hydroxy-2-methoxy-besylate; 2,4,6-trihexoxybenzenediazonium Formula: C38H52N2O9S MolecularWeight: 712.89248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C(C(=C1)OCCCCCC)[N+]#N)OCCCCCC.COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC(=C(C(=C1)OCCCCCC)[N+]#N)OCCCCCC.COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C24H41N2O3.C14H12O6S/c1-4-7-10-13-16-27-21-19-22(28-17-14-11-8-5-2)24(26-25)23(20-21)29-18-15-12-9-6-3;1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h19-20H,4-18H2,1-3H3;2-8,15H,1H3,(H,17,18,19)/q+1;/p-1