ethyl 2-(4-nitrophenyl)-10-phenylsulfanyl-decanoate

Systemtic Name: ethyl 2-(4-nitrophenyl)-10-phenylsulfanyl-decanoate Openeye Name: ethyl 2-(4-nitrophenyl)-10-phenylsulfanyl-decanoate CAS Name: 2-(4-nitrophenyl)-10-(phenylthio)decanoic acid ethyl ester IUPAC Name: ethyl 2-(4-nitrophenyl)-10-phenylsulfanyldecanoate Traditional Name: 2-(4-nitrophenyl)-10-(phenylthio)capric acid ethyl ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCCCSC1=CC=CC=C1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CCCCCCCCSC1=CC=CC=C1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C24H31NO4S/c1-2-29-24(26)23(20-15-17-21(18-16-20)25(27)28)14-10-5-3-4-6-11-19-30-22-12-8-7-9-13-22/h7-9,12-13,15-18,23H,2-6,10-11,14,19H2,1H3