1-[(E)-3-[5-carboxy-2,3,5-tris(oxidanyl)cyclohexyl]oxy-3-oxidanyl-prop-1-enyl]-3,4,5-tris(oxidanyl)-6-oxidanylidene-benzo[7]annulene-8-carboxylic acid

Systemtic Name: 1-[(E)-3-[5-carboxy-2,3,5-tris(oxidanyl)cyclohexyl]oxy-3-oxidanyl-prop-1-enyl]-3,4,5-tris(oxidanyl)-6-oxidanylidene-benzo[7]annulene-8-carboxylic acid Openeye Name: 1-[(E)-3-(5-carboxy-2,3,5-trihydroxy-cyclohexoxy)-3-hydroxy-prop-1-enyl]-3,4,5-trihydroxy-6-oxo-benzo[7]annulene-8-carboxylic acid CAS Name: 1-[(E)-3-(5-carboxy-2,3,5-trihydroxycyclohexyl)oxy-3-hydroxyprop-1-enyl]-3,4,5-trihydroxy-6-oxo-8-benzo[7]annulenecarboxylic acid IUPAC Name: 1-[(E)-3-(5-carboxy-2,3,5-trihydroxycyclohexyl)oxy-3-hydroxyprop-1-enyl]-3,4,5-trihydroxy-6-oxobenzo[7]annulene-8-carboxylic acid Traditional Name: 1-[(E)-3-(5-carboxy-2,3,5-trihydroxy-cyclohexoxy)-3-hydroxy-prop-1-enyl]-3,4,5-trihydroxy-6-keto-benzocycloheptene-8-carboxylic acid Formula: C22H22O13 MolecularWeight: 494.40228

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CC1(C(=O)O)O)OC(C=CC2=CC(=C(C3=C(C(=O)C=C(C=C23)C(=O)O)O)O)O)O)O)O

Isomeric SMILES

C1C(C(C(CC1(C(=O)O)O)OC(/C=C/C2=CC(=C(C3=C(C(=O)C=C(C=C23)C(=O)O)O)O)O)O)O)O

InChI

InChI=1S/C22H22O13/c23-11-4-8(10-3-9(20(30)31)5-12(24)19(29)16(10)18(11)28)1-2-15(26)35-14-7-22(34,21(32)33)6-13(25)17(14)27/h1-5,13-15,17,23,25-28,34H,6-7H2,(H,24,29)(H,30,31)(H,32,33)/b2-1+