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

Systemtic Name: 2-pentadecyl-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-pentadecyl-5-(1-phenyltetrazol-5-yl)sulfanyl-1,4-benzoquinone CAS Name: 2-pentadecyl-5-[(1-phenyl-5-tetrazolyl)thio]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-pentadecyl-5-(1-phenyltetrazol-5-yl)sulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-pentadecyl-5-[(1-phenyltetrazol-5-yl)thio]-p-benzoquinone Formula: C28H38N4O2S MolecularWeight: 494.69192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=O)C(=CC1=O)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=O)C(=CC1=O)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C28H38N4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-23-21-26(34)27(22-25(23)33)35-28-29-30-31-32(28)24-19-16-14-17-20-24/h14,16-17,19-22H,2-13,15,18H2,1H3