10-cyano-12-(dioxidanyl)-6,8-bis(methoxycarbonyl)-2,2,8,10-tetramethyl-4-phenyl-tridec-12-enoic acid

Systemtic Name: 10-cyano-12-(dioxidanyl)-6,8-bis(methoxycarbonyl)-2,2,8,10-tetramethyl-4-phenyl-tridec-12-enoic acid Openeye Name: 10-cyano-12-hydroperoxy-6,8-bis(methoxycarbonyl)-2,2,8,10-tetramethyl-4-phenyl-tridec-12-enoic acid CAS Name: 10-cyano-12-hydroperoxy-6,8-bis(methoxycarbonyl)-2,2,8,10-tetramethyl-4-phenyl-12-tridecenoic acid IUPAC Name: 10-cyano-12-hydroperoxy-6,8-bis(methoxycarbonyl)-2,2,8,10-tetramethyl-4-phenyltridec-12-enoic acid Traditional Name: 6,8-dicarbomethoxy-10-cyano-12-hydroperoxy-2,2,8,10-tetramethyl-4-phenyl-tridec-12-enoic acid Formula: C28H39NO8 MolecularWeight: 517.61116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CC(CC(C)(CC(C)(CC(=C)OO)C#N)C(=O)OC)C(=O)OC)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(CC(CC(CC(C)(CC(C)(CC(=C)OO)C#N)C(=O)OC)C(=O)OC)C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C28H39NO8/c1-19(37-34)14-27(4,18-29)17-28(5,25(33)36-7)16-22(23(30)35-6)13-21(15-26(2,3)24(31)32)20-11-9-8-10-12-20/h8-12,21-22,34H,1,13-17H2,2-7H3,(H,31,32)