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

Systemtic Name: hexadecyl sulfate; 2-methoxy-4-phenylazanyl-benzenediazonium Openeye Name: 4-anilino-2-methoxy-benzenediazonium; hexadecyl sulfate CAS Name: 4-anilino-2-methoxybenzenediazonium; hexadecyl sulfate IUPAC Name: 4-anilino-2-methoxybenzenediazonium; hexadecyl sulfate Traditional Name: 4-anilino-2-methoxy-benzenediazonium; cetyl sulfate Formula: C29H45N3O5S MolecularWeight: 547.7497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H34O4S.C13H12N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10/h2-16H2,1H3,(H,17,18,19);2-9,15H,1H3/q;+1/p-1