[2,3,4-triacetyloxy-5-[(2,4-dinitrophenyl)amino]-6-ethylsulfanyl-6-methoxy-hexyl] ethanoate

Systemtic Name: [2,3,4-triacetyloxy-5-[(2,4-dinitrophenyl)amino]-6-ethylsulfanyl-6-methoxy-hexyl] ethanoate Openeye Name: [2,3,4-triacetoxy-5-(2,4-dinitroanilino)-6-ethylsulfanyl-6-methoxy-hexyl] acetate CAS Name: acetic acid [2,3,4-triacetyloxy-5-(2,4-dinitroanilino)-6-(ethylthio)-6-methoxyhexyl] ester IUPAC Name: [2,3,4-triacetyloxy-5-(2,4-dinitroanilino)-6-ethylsulfanyl-6-methoxyhexyl] acetate Traditional Name: acetic acid [2,3,4-triacetoxy-5-(2,4-dinitroanilino)-6-(ethylthio)-6-methoxy-hexyl] ester Formula: C23H31N3O13S MolecularWeight: 589.56954

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CCSC(C(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C23H31N3O13S/c1-7-40-23(35-6)20(24-17-9-8-16(25(31)32)10-18(17)26(33)34)22(39-15(5)30)21(38-14(4)29)19(37-13(3)28)11-36-12(2)27/h8-10,19-24H,7,11H2,1-6H3