4-diazo-N-phenyl-3,6-bis(3-sulfonylpropoxy)cyclohexa-1,5-dien-1-amine

Systemtic Name: 4-diazo-N-phenyl-3,6-bis(3-sulfonylpropoxy)cyclohexa-1,5-dien-1-amine Openeye Name: 4-diazo-N-phenyl-3,6-bis(3-sulfonylpropoxy)cyclohexa-1,5-dien-1-amine CAS Name: 4-diazo-N-phenyl-3,6-bis(3-sulfonylpropoxy)-1-cyclohexa-1,5-dienamine IUPAC Name: 4-diazo-N-phenyl-3,6-bis(3-sulfonylpropoxy)cyclohexa-1,5-dien-1-amine Traditional Name: [4-diazo-3,6-bis(3-sulfonylpropoxy)cyclohexa-1,5-dien-1-yl]-phenyl-amine Formula: C18H19N3O6S2 MolecularWeight: 437.48996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC(C(=[N+]=[N-])C=C2OCCC=S(=O)=O)OCCC=S(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC(C(=[N+]=[N-])C=C2OCCC=S(=O)=O)OCCC=S(=O)=O

InChI

InChI=1S/C18H19N3O6S2/c19-21-16-13-17(26-8-4-10-28(22)23)15(20-14-6-2-1-3-7-14)12-18(16)27-9-5-11-29(24)25/h1-3,6-7,10-13,18,20H,4-5,8-9H2