2-[[1,4,5-trimethoxy-9,10-bis(oxidanylidene)anthracen-2-yl]methyl]butanedioic acid

Systemtic Name: 2-[[1,4,5-trimethoxy-9,10-bis(oxidanylidene)anthracen-2-yl]methyl]butanedioic acid Openeye Name: 2-[(1,4,5-trimethoxy-9,10-dioxo-2-anthryl)methyl]butanedioic acid CAS Name: 2-[(1,4,5-trimethoxy-9,10-dioxo-2-anthracenyl)methyl]butanedioic acid IUPAC Name: 2-[(1,4,5-trimethoxy-9,10-dioxoanthracen-2-yl)methyl]butanedioic acid Traditional Name: 2-[(9,10-diketo-1,4,5-trimethoxy-2-anthryl)methyl]succinic acid Formula: C22H20O9 MolecularWeight: 428.3888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)C3=C(C=C(C(=C3C2=O)OC)CC(CC(=O)O)C(=O)O)OC

Isomeric SMILES

COC1=CC=CC2=C1C(=O)C3=C(C=C(C(=C3C2=O)OC)CC(CC(=O)O)C(=O)O)OC

InChI

InChI=1S/C22H20O9/c1-29-13-6-4-5-12-16(13)20(26)17-14(30-2)8-10(21(31-3)18(17)19(12)25)7-11(22(27)28)9-15(23)24/h4-6,8,11H,7,9H2,1-3H3,(H,23,24)(H,27,28)