[5-acetyloxy-3-butyl-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] cyclopentanecarboxylate

Systemtic Name: [5-acetyloxy-3-butyl-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] cyclopentanecarboxylate Openeye Name: (5-acetoxy-3-butyl-7-methyl-6,8-dioxo-isochromen-7-yl) cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid (5-acetyloxy-3-butyl-7-methyl-6,8-dioxo-2-benzopyran-7-yl) ester IUPAC Name: (5-acetyloxy-3-butyl-7-methyl-6,8-dioxoisochromen-7-yl) cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid (5-acetoxy-3-butyl-6,8-diketo-7-methyl-isochromen-7-yl) ester Formula: C22H26O7 MolecularWeight: 402.43764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CO1)(C)OC(=O)C3CCCC3)OC(=O)C

Isomeric SMILES

CCCCC1=CC2=C(C(=O)C(C(=O)C2=CO1)(C)OC(=O)C3CCCC3)OC(=O)C

InChI

InChI=1S/C22H26O7/c1-4-5-10-15-11-16-17(12-27-15)19(24)22(3,20(25)18(16)28-13(2)23)29-21(26)14-8-6-7-9-14/h11-12,14H,4-10H2,1-3H3