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

Systemtic Name: 2-methoxy-4,6-dioctoxy-benzenediazonium; 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonate Openeye Name: 5-benzoyl-4-hydroxy-2-methoxy-benzenesulfonate; 2-methoxy-4,6-dioctoxy-benzenediazonium CAS Name: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate; 2-methoxy-4,6-dioctoxybenzenediazonium IUPAC Name: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate; 2-methoxy-4,6-dioctoxybenzenediazonium Traditional Name: 5-benzoyl-4-hydroxy-2-methoxy-besylate; 2-methoxy-4,6-dioctoxy-benzenediazonium Formula: C37H50N2O9S MolecularWeight: 698.8659

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H39N2O3.C14H12O6S/c1-4-6-8-10-12-14-16-27-20-18-21(26-3)23(25-24)22(19-20)28-17-15-13-11-9-7-5-2;1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h18-19H,4-17H2,1-3H3;2-8,15H,1H3,(H,17,18,19)/q+1;/p-1