4-diazo-5-methoxy-N-phenyl-cyclohexa-1,5-dien-1-amine; 2-dodecylbenzenesulfonic acid

Systemtic Name: 4-diazo-5-methoxy-N-phenyl-cyclohexa-1,5-dien-1-amine; 2-dodecylbenzenesulfonic acid Openeye Name: 4-diazo-5-methoxy-N-phenyl-cyclohexa-1,5-dien-1-amine; 2-dodecylbenzenesulfonic acid CAS Name: 4-diazo-5-methoxy-N-phenyl-1-cyclohexa-1,5-dienamine; 2-dodecylbenzenesulfonic acid IUPAC Name: 4-diazo-5-methoxy-N-phenylcyclohexa-1,5-dien-1-amine; 2-dodecylbenzenesulfonic acid Traditional Name: (4-diazo-5-methoxy-cyclohexa-1,5-dien-1-yl)-phenyl-amine; 2-laurylbesylic acid Formula: C31H43N3O4S MolecularWeight: 553.75582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.COC1=CC(=CCC1=[N+]=[N-])NC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.COC1=CC(=CCC1=[N+]=[N-])NC2=CC=CC=C2

InChI

InChI=1S/C18H30O3S.C13H13N3O/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);2-7,9,15H,8H2,1H3