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

Systemtic Name: 1-(4-heptadecoxyphenyl)sulfanyl-4-nitro-benzene Openeye Name: 1-(4-heptadecoxyphenyl)sulfanyl-4-nitro-benzene CAS Name: 1-[(4-heptadecoxyphenyl)thio]-4-nitrobenzene IUPAC Name: 1-(4-heptadecoxyphenyl)sulfanyl-4-nitrobenzene Traditional Name: 1-[(4-heptadecoxyphenyl)thio]-4-nitro-benzene Formula: C29H43NO3S MolecularWeight: 485.72162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C29H43NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-33-27-19-23-29(24-20-27)34-28-21-17-26(18-22-28)30(31)32/h17-24H,2-16,25H2,1H3