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

Systemtic Name: 4-(4-diazo-3,6-diethoxy-cyclohexa-1,5-dien-1-yl)morpholine; 2-sulfobenzene-1,3-dicarboxylic acid Openeye Name: 4-(4-diazo-3,6-diethoxy-cyclohexa-1,5-dien-1-yl)morpholine; 2-sulfobenzene-1,3-dicarboxylic acid CAS Name: 4-(4-diazo-3,6-diethoxy-1-cyclohexa-1,5-dienyl)morpholine; 2-sulfobenzene-1,3-dicarboxylic acid IUPAC Name: 4-(4-diazo-3,6-diethoxycyclohexa-1,5-dien-1-yl)morpholine; 2-sulfobenzene-1,3-dicarboxylic acid Traditional Name: 4-(4-diazo-3,6-diethoxy-cyclohexa-1,5-dien-1-yl)morpholine; 2-sulfoisophthalic acid Formula: C22H27N3O10S MolecularWeight: 525.52888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3.C8H6O7S/c1-3-19-13-10-12(17-5-7-18-8-6-17)14(20-4-2)9-11(13)16-15;9-7(10)4-2-1-3-5(8(11)12)6(4)16(13,14)15/h9-10,13H,3-8H2,1-2H3;1-3H,(H,9,10)(H,11,12)(H,13,14,15)