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

Systemtic Name: 1-nitro-4-(4-octadecoxyphenyl)sulfanyl-benzene Openeye Name: 1-nitro-4-(4-octadecoxyphenyl)sulfanyl-benzene CAS Name: 1-nitro-4-[(4-octadecoxyphenyl)thio]benzene IUPAC Name: 1-nitro-4-(4-octadecoxyphenyl)sulfanylbenzene Traditional Name: 1-nitro-4-[(4-stearyloxyphenyl)thio]benzene Formula: C30H45NO3S MolecularWeight: 499.7482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C30H45NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-34-28-20-24-30(25-21-28)35-29-22-18-27(19-23-29)31(32)33/h18-25H,2-17,26H2,1H3