2-[5-[(E)-hydroxyiminomethyl]-3,6-dimethoxy-1,9,9-trimethyl-xanthen-4-yl]ethanoate

Systemtic Name: 2-[5-[(E)-hydroxyiminomethyl]-3,6-dimethoxy-1,9,9-trimethyl-xanthen-4-yl]ethanoate Openeye Name: 2-[5-[(E)-hydroxyiminomethyl]-3,6-dimethoxy-1,9,9-trimethyl-xanthen-4-yl]acetate CAS Name: 2-[5-[(E)-hydroxyiminomethyl]-3,6-dimethoxy-1,9,9-trimethyl-4-xanthenyl]acetate IUPAC Name: 2-[5-[(E)-hydroxyiminomethyl]-3,6-dimethoxy-1,9,9-trimethylxanthen-4-yl]acetate Traditional Name: 2-[5-[(E)-hydroximinomethyl]-3,6-dimethoxy-1,9,9-trimethyl-xanthen-4-yl]acetate Formula: C21H22NO6- MolecularWeight: 384.40248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(C3=C(O2)C(=C(C=C3)OC)C=NO)(C)C)CC(=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(C2=C1C(C3=C(O2)C(=C(C=C3)OC)/C=N/O)(C)C)CC(=O)[O-])OC

InChI

InChI=1S/C21H23NO6/c1-11-8-16(27-5)12(9-17(23)24)20-18(11)21(2,3)14-6-7-15(26-4)13(10-22-25)19(14)28-20/h6-8,10,25H,9H2,1-5H3,(H,23,24)/p-1/b22-10+