azanylidyneazanium; 4-[2,5-di(propan-2-yloxy)phenyl]morpholine; 2-sulfooxybenzoate

Systemtic Name: azanylidyneazanium; 4-[2,5-di(propan-2-yloxy)phenyl]morpholine; 2-sulfooxybenzoate Openeye Name: 4-(2,5-diisopropoxyphenyl)morpholine; nitridoammonium; 2-sulfooxybenzoate CAS Name: 4-[2,5-di(propan-2-yloxy)phenyl]morpholine; nitriloammonium; 2-sulfooxybenzoate IUPAC Name: azanylidyneazanium; 4-[2,5-di(propan-2-yloxy)phenyl]morpholine; 2-sulfooxybenzoate Traditional Name: 4-(2,5-diisopropoxyphenyl)morpholine; nitriloammonium; 2-sulfoxybenzoate Formula: C23H31N3O9S MolecularWeight: 525.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1)OC(C)C)N2CCOCC2.C1=CC=C(C(=C1)C(=O)[O-])OS(=O)(=O)O.[NH+]#N

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)OC(C)C)N2CCOCC2.C1=CC=C(C(=C1)C(=O)[O-])OS(=O)(=O)O.[NH+]#N

InChI

InChI=1S/C16H25NO3.C7H6O6S.N2/c1-12(2)19-14-5-6-16(20-13(3)4)15(11-14)17-7-9-18-10-8-17;8-7(9)5-3-1-2-4-6(5)13-14(10,11)12;1-2/h5-6,11-13H,7-10H2,1-4H3;1-4H,(H,8,9)(H,10,11,12);