O4-[5-acetyloxy-3-butyl-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] O1-methyl butanedioate

Systemtic Name: O4-[5-acetyloxy-3-butyl-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] O1-methyl butanedioate Openeye Name: O4-(5-acetoxy-3-butyl-7-methyl-6,8-dioxo-isochromen-7-yl) O1-methyl butanedioate CAS Name: butanedioic acid O4-(5-acetyloxy-3-butyl-7-methyl-6,8-dioxo-2-benzopyran-7-yl) ester O1-methyl ester IUPAC Name: 4-O-(5-acetyloxy-3-butyl-7-methyl-6,8-dioxoisochromen-7-yl) 1-O-methyl butanedioate Traditional Name: succinic acid O4-(5-acetoxy-3-butyl-6,8-diketo-7-methyl-isochromen-7-yl) ester O1-methyl ester Formula: C21H24O9 MolecularWeight: 420.40986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O9/c1-5-6-7-13-10-14-15(11-28-13)19(25)21(3,20(26)18(14)29-12(2)22)30-17(24)9-8-16(23)27-4/h10-11H,5-9H2,1-4H3