[(7S)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] (3S)-3-oxidanylbutanoate

Systemtic Name: [(7S)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] (3S)-3-oxidanylbutanoate Openeye Name: [(7S)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxo-isochromen-7-yl] (3S)-3-hydroxybutanoate CAS Name: (3S)-3-hydroxybutanoic acid [(7S)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester IUPAC Name: [(7S)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-7-methyl-6,8-dioxoisochromen-7-yl] (3S)-3-hydroxybutanoate Traditional Name: (3S)-3-hydroxybutyric acid [(7S)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-6,8-diketo-7-methyl-isochromen-7-yl] ester Formula: C21H22O6 MolecularWeight: 370.39578

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC=CC1=CC2=CC(=O)C(C(=O)C2=CO1)(C)OC(=O)CC(C)O

Isomeric SMILES

C/C=C/C=C/C=C/C1=CC2=CC(=O)[C@](C(=O)C2=CO1)(C)OC(=O)C[C@H](C)O

InChI

InChI=1S/C21H22O6/c1-4-5-6-7-8-9-16-11-15-12-18(23)21(3,20(25)17(15)13-26-16)27-19(24)10-14(2)22/h4-9,11-14,22H,10H2,1-3H3/b5-4+,7-6+,9-8+/t14-,21-/m0/s1