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

Systemtic Name: methyl (2S)-2-[(4aS)-4a,8-dimethyl-1,7-bis(oxidanylidene)-4H-naphthalen-2-yl]propanoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=O)C(=CCC2(C=CC1=O)C)C(C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H18O4/c1-9(15(19)20-4)11-5-7-16(3)8-6-12(17)10(2)13(16)14(11)18/h5-6,8-9H,7H2,1-4H3/t9-,16-/m0/s1