[3-(2,2-dimethylbutanoyloxy)-2-oxidanyl-propyl] 3,7-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [3-(2,2-dimethylbutanoyloxy)-2-oxidanyl-propyl] 3,7-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [3-(2,2-dimethylbutanoyloxy)-2-hydroxy-propyl] 3,7-dihydroxynaphthalene-2-carboxylate CAS Name: 3,7-dihydroxy-2-naphthalenecarboxylic acid [3-(2,2-dimethyl-1-oxobutoxy)-2-hydroxypropyl] ester IUPAC Name: [3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 3,7-dihydroxynaphthalene-2-carboxylate Traditional Name: 3,7-dihydroxynaphthalene-2-carboxylic acid [3-(2,2-dimethylbutanoyloxy)-2-hydroxy-propyl] ester Formula: C20H24O7 MolecularWeight: 376.40036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCC(COC(=O)C1=C(C=C2C=CC(=CC2=C1)O)O)O

Isomeric SMILES

CCC(C)(C)C(=O)OCC(COC(=O)C1=C(C=C2C=CC(=CC2=C1)O)O)O

InChI

InChI=1S/C20H24O7/c1-4-20(2,3)19(25)27-11-15(22)10-26-18(24)16-8-13-7-14(21)6-5-12(13)9-17(16)23/h5-9,15,21-23H,4,10-11H2,1-3H3