4-diazo-5-methoxy-N-phenyl-cyclohexa-1,5-dien-1-amine; 2,3-dibutylnaphthalene-1-sulfonic acid

Systemtic Name: 4-diazo-5-methoxy-N-phenyl-cyclohexa-1,5-dien-1-amine; 2,3-dibutylnaphthalene-1-sulfonic acid Openeye Name: 4-diazo-5-methoxy-N-phenyl-cyclohexa-1,5-dien-1-amine; 2,3-dibutylnaphthalene-1-sulfonic acid CAS Name: 4-diazo-5-methoxy-N-phenyl-1-cyclohexa-1,5-dienamine; 2,3-dibutyl-1-naphthalenesulfonic acid IUPAC Name: 4-diazo-5-methoxy-N-phenylcyclohexa-1,5-dien-1-amine; 2,3-dibutylnaphthalene-1-sulfonic acid Traditional Name: (4-diazo-5-methoxy-cyclohexa-1,5-dien-1-yl)-phenyl-amine; 2,3-dibutylnaphthalene-1-sulfonic acid Formula: C31H37N3O4S MolecularWeight: 547.70818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=C1CCCC)S(=O)(=O)O.COC1=CC(=CCC1=[N+]=[N-])NC2=CC=CC=C2

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=C1CCCC)S(=O)(=O)O.COC1=CC(=CCC1=[N+]=[N-])NC2=CC=CC=C2

InChI

InChI=1S/C18H24O3S.C13H13N3O/c1-3-5-9-14-13-15-10-7-8-12-17(15)18(22(19,20)21)16(14)11-6-4-2;1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,20,21);2-7,9,15H,8H2,1H3