methyl 9-(dioxidanyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Systemtic Name: methyl 9-(dioxidanyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Openeye Name: methyl 9-hydroperoxy-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate CAS Name: 9-hydroperoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl 9-hydroperoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Traditional Name: 9-hydroperoxy-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2OO)(C)C(=O)OC)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2OO)(C)C(=O)OC)C

InChI

InChI=1S/C21H30O4/c1-13(2)14-7-8-16-15(11-14)17(25-23)12-18-20(16,3)9-6-10-21(18,4)19(22)24-5/h7-8,11,13,17-18,23H,6,9-10,12H2,1-5H3