4-(4-diazo-3,6-diethoxy-cyclohexa-1,5-dien-1-yl)morpholine; 2-sulfooxybenzoic acid

Systemtic Name: 4-(4-diazo-3,6-diethoxy-cyclohexa-1,5-dien-1-yl)morpholine; 2-sulfooxybenzoic acid Openeye Name: 4-(4-diazo-3,6-diethoxy-cyclohexa-1,5-dien-1-yl)morpholine; 2-sulfooxybenzoic acid CAS Name: 4-(4-diazo-3,6-diethoxy-1-cyclohexa-1,5-dienyl)morpholine; 2-sulfooxybenzoic acid IUPAC Name: 4-(4-diazo-3,6-diethoxycyclohexa-1,5-dien-1-yl)morpholine; 2-sulfooxybenzoic acid Traditional Name: 4-(4-diazo-3,6-diethoxy-cyclohexa-1,5-dien-1-yl)morpholine; 2-sulfoxybenzoic acid Formula: C21H27N3O9S MolecularWeight: 497.51878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C=C(C(=CC1=[N+]=[N-])OCC)N2CCOCC2.C1=CC=C(C(=C1)C(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCOC1C=C(C(=CC1=[N+]=[N-])OCC)N2CCOCC2.C1=CC=C(C(=C1)C(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C14H21N3O3.C7H6O6S/c1-3-19-13-10-12(17-5-7-18-8-6-17)14(20-4-2)9-11(13)16-15;8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h9-10,13H,3-8H2,1-2H3;1-4H,(H,8,9)(H,10,11,12)