heptyl sulfate; 2-methoxy-4-phenylazanyl-benzenediazonium

Systemtic Name: heptyl sulfate; 2-methoxy-4-phenylazanyl-benzenediazonium Openeye Name: 4-anilino-2-methoxy-benzenediazonium; heptyl sulfate CAS Name: 4-anilino-2-methoxybenzenediazonium; heptyl sulfate IUPAC Name: 4-anilino-2-methoxybenzenediazonium; heptyl sulfate Traditional Name: 4-anilino-2-methoxy-benzenediazonium; heptyl sulfate Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOS(=O)(=O)[O-].COC1=C(C=CC(=C1)NC2=CC=CC=C2)[N+]#N

Isomeric SMILES

CCCCCCCOS(=O)(=O)[O-].COC1=C(C=CC(=C1)NC2=CC=CC=C2)[N+]#N

InChI

InChI=1S/C13H12N3O.C7H16O4S/c1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10;1-2-3-4-5-6-7-11-12(8,9)10/h2-9,15H,1H3;2-7H2,1H3,(H,8,9,10)/q+1;/p-1