2-hexadecyl-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-hexadecyl-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-hexadecyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,4-benzoquinone CAS Name: 2-hexadecyl-5-[(1-phenyl-5-tetrazolyl)thio]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-hexadecyl-5-(1-phenyltetrazol-5-yl)sulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-cetyl-5-[(1-phenyltetrazol-5-yl)thio]-p-benzoquinone Formula: C29H40N4O2S MolecularWeight: 508.7185

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC(=O)C(=CC1=O)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC(=O)C(=CC1=O)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C29H40N4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-24-22-27(35)28(23-26(24)34)36-29-30-31-32-33(29)25-20-17-15-18-21-25/h15,17-18,20-23H,2-14,16,19H2,1H3