[7-[(1S)-4-methyl-1-oxidanyl-pent-3-enyl]-4-oxidanyl-5,8-bis(oxidanylidene)naphthalen-1-yl] 3-methylbutanoate

Systemtic Name: [7-[(1S)-4-methyl-1-oxidanyl-pent-3-enyl]-4-oxidanyl-5,8-bis(oxidanylidene)naphthalen-1-yl] 3-methylbutanoate Openeye Name: [4-hydroxy-7-[(1S)-1-hydroxy-4-methyl-pent-3-enyl]-5,8-dioxo-1-naphthyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [4-hydroxy-7-[(1S)-1-hydroxy-4-methylpent-3-enyl]-5,8-dioxo-1-naphthalenyl] ester IUPAC Name: [4-hydroxy-7-[(1S)-1-hydroxy-4-methylpent-3-enyl]-5,8-dioxonaphthalen-1-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [4-hydroxy-7-[(1S)-1-hydroxy-4-methyl-pent-3-enyl]-5,8-diketo-1-naphthyl] ester Formula: C21H24O6 MolecularWeight: 372.41166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1=C2C(=C(C=C1)O)C(=O)C=C(C2=O)C(CC=C(C)C)O

Isomeric SMILES

CC(C)CC(=O)OC1=C2C(=C(C=C1)O)C(=O)C=C(C2=O)[C@H](CC=C(C)C)O

InChI

InChI=1S/C21H24O6/c1-11(2)5-6-14(22)13-10-16(24)19-15(23)7-8-17(20(19)21(13)26)27-18(25)9-12(3)4/h5,7-8,10,12,14,22-23H,6,9H2,1-4H3/t14-/m0/s1