3-[7-butanoyloxy-5-chloranyl-7-methyl-6,8-bis(oxidanylidene)isochromen-3-yl]propyl butanoate

Systemtic Name: 3-[7-butanoyloxy-5-chloranyl-7-methyl-6,8-bis(oxidanylidene)isochromen-3-yl]propyl butanoate Openeye Name: 3-(7-butanoyloxy-5-chloro-7-methyl-6,8-dioxo-isochromen-3-yl)propyl butanoate CAS Name: butanoic acid 3-[5-chloro-7-methyl-6,8-dioxo-7-(1-oxobutoxy)-2-benzopyran-3-yl]propyl ester IUPAC Name: 3-(7-butanoyloxy-5-chloro-7-methyl-6,8-dioxoisochromen-3-yl)propyl butanoate Traditional Name: butyric acid 3-(7-butyryloxy-5-chloro-6,8-diketo-7-methyl-isochromen-3-yl)propyl ester Formula: C21H25ClO7 MolecularWeight: 424.872

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCCCC1=CC2=C(C(=O)C(C(=O)C2=CO1)(C)OC(=O)CCC)Cl

Isomeric SMILES

CCCC(=O)OCCCC1=CC2=C(C(=O)C(C(=O)C2=CO1)(C)OC(=O)CCC)Cl

InChI

InChI=1S/C21H25ClO7/c1-4-7-16(23)27-10-6-9-13-11-14-15(12-28-13)19(25)21(3,20(26)18(14)22)29-17(24)8-5-2/h11-12H,4-10H2,1-3H3