(4-heptoxyphenyl)-(4-nitrophenyl)methanethiolate

Systemtic Name: (4-heptoxyphenyl)-(4-nitrophenyl)methanethiolate Openeye Name: (4-heptoxyphenyl)-(4-nitrophenyl)methanethiolate CAS Name: (4-heptoxyphenyl)-(4-nitrophenyl)methanethiolate IUPAC Name: (4-heptoxyphenyl)-(4-nitrophenyl)methanethiolate Traditional Name: (4-heptoxyphenyl)-(4-nitrophenyl)methanethiolate Formula: C20H24NO3S- MolecularWeight: 358.47446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)[N+](=O)[O-])[S-]

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)[N+](=O)[O-])[S-]

InChI

InChI=1S/C20H25NO3S/c1-2-3-4-5-6-15-24-19-13-9-17(10-14-19)20(25)16-7-11-18(12-8-16)21(22)23/h7-14,20,25H,2-6,15H2,1H3/p-1