(E)-2-[[6-methoxy-7-methyl-5-[(Z)-3-methyl-6-oxidanyl-6-oxidanylidene-hex-2-enyl]-3-oxidanylidene-1H-2-benzofuran-4-yl]oxy]but-2-enedioic acid

Systemtic Name: (E)-2-[[6-methoxy-7-methyl-5-[(Z)-3-methyl-6-oxidanyl-6-oxidanylidene-hex-2-enyl]-3-oxidanylidene-1H-2-benzofuran-4-yl]oxy]but-2-enedioic acid Openeye Name: (E)-2-[[5-[(Z)-6-hydroxy-3-methyl-6-oxo-hex-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-4-yl]oxy]but-2-enedioic acid CAS Name: (E)-2-[[5-[(Z)-6-hydroxy-3-methyl-6-oxohex-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-4-yl]oxy]-2-butenedioic acid IUPAC Name: (E)-2-[[5-[(Z)-6-hydroxy-3-methyl-6-oxohex-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]but-2-enedioic acid Traditional Name: (E)-2-[5-[(Z)-6-hydroxy-6-keto-3-methyl-hex-2-enyl]-3-keto-6-methoxy-7-methyl-phthalan-4-yl]oxybut-2-enedioic acid Formula: C21H22O10 MolecularWeight: 434.39338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)OC(=CC(=O)O)C(=O)O)CC=C(C)CCC(=O)O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O/C(=C/C(=O)O)/C(=O)O)C/C=C(/C)\CCC(=O)O)OC

InChI

InChI=1S/C21H22O10/c1-10(5-7-15(22)23)4-6-12-18(29-3)11(2)13-9-30-21(28)17(13)19(12)31-14(20(26)27)8-16(24)25/h4,8H,5-7,9H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)/b10-4-,14-8+