4-[4-diazo-3,6-di(propan-2-yloxy)cyclohexa-1,5-dien-1-yl]morpholine; 2-sulfooxybenzoic acid

Systemtic Name: 4-[4-diazo-3,6-di(propan-2-yloxy)cyclohexa-1,5-dien-1-yl]morpholine; 2-sulfooxybenzoic acid Openeye Name: 4-(4-diazo-3,6-diisopropoxy-cyclohexa-1,5-dien-1-yl)morpholine; 2-sulfooxybenzoic acid CAS Name: 4-[4-diazo-3,6-di(propan-2-yloxy)-1-cyclohexa-1,5-dienyl]morpholine; 2-sulfooxybenzoic acid IUPAC Name: 4-[4-diazo-3,6-di(propan-2-yloxy)cyclohexa-1,5-dien-1-yl]morpholine; 2-sulfooxybenzoic acid Traditional Name: 4-(4-diazo-3,6-diisopropoxy-cyclohexa-1,5-dien-1-yl)morpholine; 2-sulfoxybenzoic acid Formula: C23H31N3O9S MolecularWeight: 525.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1C=C(C(=CC1=[N+]=[N-])OC(C)C)N2CCOCC2.C1=CC=C(C(=C1)C(=O)O)OS(=O)(=O)O

Isomeric SMILES

CC(C)OC1C=C(C(=CC1=[N+]=[N-])OC(C)C)N2CCOCC2.C1=CC=C(C(=C1)C(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C16H25N3O3.C7H6O6S/c1-11(2)21-15-10-14(19-5-7-20-8-6-19)16(22-12(3)4)9-13(15)18-17;8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h9-12,15H,5-8H2,1-4H3;1-4H,(H,8,9)(H,10,11,12)