ethyl (2S)-2-[(4aS)-4a,8-dimethyl-1,7-bis(oxidanylidene)-4H-naphthalen-2-yl]propanoate

Systemtic Name: ethyl (2S)-2-[(4aS)-4a,8-dimethyl-1,7-bis(oxidanylidene)-4H-naphthalen-2-yl]propanoate Openeye Name: ethyl (2S)-2-[(4aS)-4a,8-dimethyl-1,7-dioxo-4H-naphthalen-2-yl]propanoate CAS Name: (2S)-2-[(4aS)-4a,8-dimethyl-1,7-dioxo-4H-naphthalen-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(4aS)-4a,8-dimethyl-1,7-dioxo-4H-naphthalen-2-yl]propanoate Traditional Name: (2S)-2-[(4aS)-1,7-diketo-4a,8-dimethyl-4H-naphthalen-2-yl]propionic acid ethyl ester Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C1=CCC2(C=CC(=O)C(=C2C1=O)C)C

Isomeric SMILES

CCOC(=O)[C@@H](C)C1=CC[C@]2(C=CC(=O)C(=C2C1=O)C)C

InChI

InChI=1S/C17H20O4/c1-5-21-16(20)10(2)12-6-8-17(4)9-7-13(18)11(3)14(17)15(12)19/h6-7,9-10H,5,8H2,1-4H3/t10-,17-/m0/s1