methyl (2S)-2-[(3S,4aS)-4a,8-dimethyl-3-oxidanyl-7-oxidanylidene-3,4-dihydronaphthalen-2-yl]propanoate

Systemtic Name: methyl (2S)-2-[(3S,4aS)-4a,8-dimethyl-3-oxidanyl-7-oxidanylidene-3,4-dihydronaphthalen-2-yl]propanoate Openeye Name: methyl (2S)-2-[(3S,4aS)-3-hydroxy-4a,8-dimethyl-7-oxo-3,4-dihydronaphthalen-2-yl]propanoate CAS Name: (2S)-2-[(3S,4aS)-3-hydroxy-4a,8-dimethyl-7-oxo-3,4-dihydronaphthalen-2-yl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3S,4aS)-3-hydroxy-4a,8-dimethyl-7-oxo-3,4-dihydronaphthalen-2-yl]propanoate Traditional Name: (2S)-2-[(3S,4aS)-3-hydroxy-7-keto-4a,8-dimethyl-3,4-dihydronaphthalen-2-yl]propionic acid methyl ester Formula: C16H20O4 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(CC2(C=CC1=O)C)O)C(C)C(=O)OC

Isomeric SMILES

CC1=C2C=C([C@H](C[C@]2(C=CC1=O)C)O)[C@H](C)C(=O)OC

InChI

InChI=1S/C16H20O4/c1-9(15(19)20-4)11-7-12-10(2)13(17)5-6-16(12,3)8-14(11)18/h5-7,9,14,18H,8H2,1-4H3/t9-,14-,16+/m0/s1