12-[2,6-dimethoxy-9,10-bis(oxidanyl)anthracen-1-yl]oxy-12-oxidanylidene-dodecanoic acid

Systemtic Name: 12-[2,6-dimethoxy-9,10-bis(oxidanyl)anthracen-1-yl]oxy-12-oxidanylidene-dodecanoic acid Openeye Name: 12-[(9,10-dihydroxy-2,6-dimethoxy-1-anthryl)oxy]-12-oxo-dodecanoic acid CAS Name: 12-[(9,10-dihydroxy-2,6-dimethoxy-1-anthracenyl)oxy]-12-oxododecanoic acid IUPAC Name: 12-(9,10-dihydroxy-2,6-dimethoxyanthracen-1-yl)oxy-12-oxododecanoic acid Traditional Name: 12-[(9,10-dihydroxy-2,6-dimethoxy-1-anthryl)oxy]-12-keto-lauric acid Formula: C28H34O8 MolecularWeight: 498.56476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C3C(=C2O)C=CC(=C3OC(=O)CCCCCCCCCCC(=O)O)OC)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C3C(=C2O)C=CC(=C3OC(=O)CCCCCCCCCCC(=O)O)OC)O

InChI

InChI=1S/C28H34O8/c1-34-18-13-14-19-21(17-18)26(32)20-15-16-22(35-2)28(25(20)27(19)33)36-24(31)12-10-8-6-4-3-5-7-9-11-23(29)30/h13-17,32-33H,3-12H2,1-2H3,(H,29,30)