4-[2,3-ditert-butyl-4-(dioxidanyl)-6-[2-(methylamino)-3-oxidanylidene-prop-2-enoyl]cyclohexa-1,5-dien-1-yl]cyclohexane-1-carboximidamide

Systemtic Name: 4-[2,3-ditert-butyl-4-(dioxidanyl)-6-[2-(methylamino)-3-oxidanylidene-prop-2-enoyl]cyclohexa-1,5-dien-1-yl]cyclohexane-1-carboximidamide Openeye Name: 4-[2,3-ditert-butyl-4-hydroperoxy-6-[2-(methylamino)-3-oxo-prop-2-enoyl]cyclohexa-1,5-dien-1-yl]cyclohexanecarboxamidine CAS Name: 4-[2,3-ditert-butyl-4-hydroperoxy-6-[2-(methylamino)-1,3-dioxoprop-2-enyl]-1-cyclohexa-1,5-dienyl]-1-cyclohexanecarboximidamide IUPAC Name: 4-[2,3-ditert-butyl-4-hydroperoxy-6-[2-(methylamino)-3-oxoprop-2-enoyl]cyclohexa-1,5-dien-1-yl]cyclohexane-1-carboximidamide Traditional Name: 4-[2,3-ditert-butyl-4-hydroperoxy-6-[3-keto-2-(methylamino)acryloyl]cyclohexa-1,5-dien-1-yl]cyclohexanecarboxamidine Formula: C25H39N3O4 MolecularWeight: 445.59486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(C=C(C(=C1C(C)(C)C)C2CCC(CC2)C(=N)N)C(=O)C(=C=O)NC)OO

Isomeric SMILES

CC(C)(C)C1C(C=C(C(=C1C(C)(C)C)C2CCC(CC2)C(=N)N)C(=O)C(=C=O)NC)OO

InChI

InChI=1S/C25H39N3O4/c1-24(2,3)20-18(32-31)12-16(22(30)17(13-29)28-7)19(21(20)25(4,5)6)14-8-10-15(11-9-14)23(26)27/h12,14-15,18,20,28,31H,8-11H2,1-7H3,(H3,26,27)