2-[3-[7-[2,3-bis(oxidanyl)propoxy]-5-oxidanyl-4-oxidanylidene-6-prop-2-enyl-chromen-2-yl]-6-methoxy-2-prop-2-enyl-phenoxy]ethanoic acid

Systemtic Name: 2-[3-[7-[2,3-bis(oxidanyl)propoxy]-5-oxidanyl-4-oxidanylidene-6-prop-2-enyl-chromen-2-yl]-6-methoxy-2-prop-2-enyl-phenoxy]ethanoic acid Openeye Name: 2-[2-allyl-3-[6-allyl-7-(2,3-dihydroxypropoxy)-5-hydroxy-4-oxo-chromen-2-yl]-6-methoxy-phenoxy]acetic acid CAS Name: 2-[3-[7-(2,3-dihydroxypropoxy)-5-hydroxy-4-oxo-6-prop-2-enyl-1-benzopyran-2-yl]-6-methoxy-2-prop-2-enylphenoxy]acetic acid IUPAC Name: 2-[3-[7-(2,3-dihydroxypropoxy)-5-hydroxy-4-oxo-6-prop-2-enylchromen-2-yl]-6-methoxy-2-prop-2-enylphenoxy]acetic acid Traditional Name: 2-[2-allyl-3-(6-allyl-7-glyceryloxy-5-hydroxy-4-keto-chromen-2-yl)-6-methoxy-phenoxy]acetic acid Formula: C27H28O10 MolecularWeight: 512.50522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OCC(CO)O)CC=C)O)CC=C)OCC(=O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OCC(CO)O)CC=C)O)CC=C)OCC(=O)O

InChI

InChI=1S/C27H28O10/c1-4-6-17-16(8-9-20(34-3)27(17)36-14-24(31)32)22-10-19(30)25-23(37-22)11-21(35-13-15(29)12-28)18(7-5-2)26(25)33/h4-5,8-11,15,28-29,33H,1-2,6-7,12-14H2,3H3,(H,31,32)