pentamethyl 5-(4-nitrophenyl)sulfanylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate

Systemtic Name: pentamethyl 5-(4-nitrophenyl)sulfanylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate Openeye Name: pentamethyl 5-(4-nitrophenyl)sulfanylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate CAS Name: 5-[(4-nitrophenyl)thio]cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylic acid pentamethyl ester IUPAC Name: pentamethyl 5-(4-nitrophenyl)sulfanylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate Traditional Name: 5-[(4-nitrophenyl)thio]cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylic acid pentamethyl ester Formula: C21H19NO12S MolecularWeight: 509.44006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(C(=C1C(=O)OC)C(=O)OC)(C(=O)OC)SC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C(C(=C1C(=O)OC)C(=O)OC)(C(=O)OC)SC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H19NO12S/c1-30-16(23)12-13(17(24)31-2)15(19(26)33-4)21(20(27)34-5,14(12)18(25)32-3)35-11-8-6-10(7-9-11)22(28)29/h6-9H,1-5H3