3,8-dibutyl-1,4-bis(oxidanylidene)isochromene-3-carboxylate

Systemtic Name: 3,8-dibutyl-1,4-bis(oxidanylidene)isochromene-3-carboxylate Openeye Name: 3,8-dibutyl-1,4-dioxo-isochromane-3-carboxylate CAS Name: 3,8-dibutyl-1,4-dioxo-3,4-dihydro-1H-2-benzopyran-3-carboxylate IUPAC Name: 3,8-dibutyl-1,4-dioxoisochromene-3-carboxylate Traditional Name: 3,8-dibutyl-1,4-diketo-isochroman-3-carboxylate Formula: C18H21O5- MolecularWeight: 317.35634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC2=C1C(=O)OC(C2=O)(CCCC)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=CC2=C1C(=O)OC(C2=O)(CCCC)C(=O)[O-]

InChI

InChI=1S/C18H22O5/c1-3-5-8-12-9-7-10-13-14(12)16(20)23-18(15(13)19,17(21)22)11-6-4-2/h7,9-10H,3-6,8,11H2,1-2H3,(H,21,22)/p-1