1-(4-hexadecoxyphenyl)sulfanyl-4-nitro-benzene

Systemtic Name: 1-(4-hexadecoxyphenyl)sulfanyl-4-nitro-benzene Openeye Name: 1-(4-hexadecoxyphenyl)sulfanyl-4-nitro-benzene CAS Name: 1-[(4-hexadecoxyphenyl)thio]-4-nitrobenzene IUPAC Name: 1-(4-hexadecoxyphenyl)sulfanyl-4-nitrobenzene Traditional Name: 1-[(4-cetyloxyphenyl)thio]-4-nitro-benzene Formula: C28H41NO3S MolecularWeight: 471.69504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C28H41NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-32-26-18-22-28(23-19-26)33-27-20-16-25(17-21-27)29(30)31/h16-23H,2-15,24H2,1H3