3-carboxy-4-oxidanyl-benzenesulfonate; 3-methoxy-4-pyrrolidin-1-yl-benzenediazonium

Systemtic Name: 3-carboxy-4-oxidanyl-benzenesulfonate; 3-methoxy-4-pyrrolidin-1-yl-benzenediazonium Openeye Name: 3-carboxy-4-hydroxy-benzenesulfonate; 3-methoxy-4-pyrrolidin-1-yl-benzenediazonium CAS Name: 3-carboxy-4-hydroxybenzenesulfonate; 3-methoxy-4-(1-pyrrolidinyl)benzenediazonium IUPAC Name: 3-carboxy-4-hydroxybenzenesulfonate; 3-methoxy-4-pyrrolidin-1-ylbenzenediazonium Traditional Name: 3-carboxy-4-hydroxy-besylate; 3-methoxy-4-pyrrolidino-benzenediazonium Formula: C18H19N3O7S MolecularWeight: 421.42436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+]#N)N2CCCC2.C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+]#N)N2CCCC2.C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)O)O

InChI

InChI=1S/C11H14N3O.C7H6O6S/c1-15-11-8-9(13-12)4-5-10(11)14-6-2-3-7-14;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h4-5,8H,2-3,6-7H2,1H3;1-3,8H,(H,9,10)(H,11,12,13)/q+1;/p-1