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

Systemtic Name: methyl 9-(dioxidanyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Openeye Name: methyl 9-hydroperoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate CAS Name: 9-hydroperoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl 9-hydroperoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Traditional Name: 9-hydroperoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Formula: C18H24O4 MolecularWeight: 304.38076

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1CC(C3=CC=CC=C23)OO)(C)C(=O)OC

Isomeric SMILES

CC12CCCC(C1CC(C3=CC=CC=C23)OO)(C)C(=O)OC

InChI

InChI=1S/C18H24O4/c1-17-9-6-10-18(2,16(19)21-3)15(17)11-14(22-20)12-7-4-5-8-13(12)17/h4-5,7-8,14-15,20H,6,9-11H2,1-3H3