tert-butyl 3-[3,6-bis(oxidanylidene)-2-(phenylmethoxymethyl)cyclohexa-1,4-dien-1-yl]-3-oxidanyl-propanoate

Systemtic Name: tert-butyl 3-[3,6-bis(oxidanylidene)-2-(phenylmethoxymethyl)cyclohexa-1,4-dien-1-yl]-3-oxidanyl-propanoate Openeye Name: tert-butyl 3-[2-(benzyloxymethyl)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]-3-hydroxy-propanoate CAS Name: 3-[3,6-dioxo-2-(phenylmethoxymethyl)-1-cyclohexa-1,4-dienyl]-3-hydroxypropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3,6-dioxo-2-(phenylmethoxymethyl)cyclohexa-1,4-dien-1-yl]-3-hydroxypropanoate Traditional Name: 3-[2-(benzoxymethyl)-3,6-diketo-cyclohexa-1,4-dien-1-yl]-3-hydroxy-propionic acid tert-butyl ester Formula: C21H24O6 MolecularWeight: 372.41166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C1=C(C(=O)C=CC1=O)COCC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)CC(C1=C(C(=O)C=CC1=O)COCC2=CC=CC=C2)O

InChI

InChI=1S/C21H24O6/c1-21(2,3)27-19(25)11-18(24)20-15(16(22)9-10-17(20)23)13-26-12-14-7-5-4-6-8-14/h4-10,18,24H,11-13H2,1-3H3