2-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)indene-1,3-dione

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)indene-1,3-dione Openeye Name: 2-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)indane-1,3-dione CAS Name: 2-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)indene-1,3-dione IUPAC Name: 2-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)indene-1,3-dione Traditional Name: 2-(3,4-dimethoxyphenyl)-2-methylol-indane-1,3-quinone Formula: C18H16O5 MolecularWeight: 312.31664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)CO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)CO)OC

InChI

InChI=1S/C18H16O5/c1-22-14-8-7-11(9-15(14)23-2)18(10-19)16(20)12-5-3-4-6-13(12)17(18)21/h3-9,19H,10H2,1-2H3