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

Systemtic Name: [2,3,4,6-tetraacetyloxy-5-[(2,4-dinitrophenyl)amino]-6-ethylsulfanyl-hexyl] ethanoate Openeye Name: [2,3,4,6-tetraacetoxy-5-(2,4-dinitroanilino)-6-ethylsulfanyl-hexyl] acetate CAS Name: acetic acid [2,3,4,6-tetraacetyloxy-5-(2,4-dinitroanilino)-6-(ethylthio)hexyl] ester IUPAC Name: [2,3,4,6-tetraacetyloxy-5-(2,4-dinitroanilino)-6-ethylsulfanylhexyl] acetate Traditional Name: acetic acid [2,3,4,6-tetraacetoxy-5-(2,4-dinitroanilino)-6-(ethylthio)hexyl] ester Formula: C24H31N3O14S MolecularWeight: 617.57964

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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(=O)C

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(=O)C

InChI

InChI=1S/C24H31N3O14S/c1-7-42-24(41-16(6)32)21(25-18-9-8-17(26(33)34)10-19(18)27(35)36)23(40-15(5)31)22(39-14(4)30)20(38-13(3)29)11-37-12(2)28/h8-10,20-25H,7,11H2,1-6H3