9,10-bis(oxidanylidene)-4-[(E)-4-oxidanylnon-2-enoxy]-3-propyl-anthracene-1-carboxylic acid

Systemtic Name: 9,10-bis(oxidanylidene)-4-[(E)-4-oxidanylnon-2-enoxy]-3-propyl-anthracene-1-carboxylic acid Openeye Name: 4-[(E)-4-hydroxynon-2-enoxy]-9,10-dioxo-3-propyl-anthracene-1-carboxylic acid CAS Name: 4-[(E)-4-hydroxynon-2-enoxy]-9,10-dioxo-3-propyl-1-anthracenecarboxylic acid IUPAC Name: 4-[(E)-4-hydroxynon-2-enoxy]-9,10-dioxo-3-propylanthracene-1-carboxylic acid Traditional Name: 4-[(E)-4-hydroxynon-2-enoxy]-9,10-diketo-3-propyl-anthracene-1-carboxylic acid Formula: C27H30O6 MolecularWeight: 450.5235

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CCOC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3C2=O)C(=O)O)CCC)O

Isomeric SMILES

CCCCCC(/C=C/COC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3C2=O)C(=O)O)CCC)O

InChI

InChI=1S/C27H30O6/c1-3-5-6-11-18(28)12-9-15-33-26-17(10-4-2)16-21(27(31)32)22-23(26)25(30)20-14-8-7-13-19(20)24(22)29/h7-9,12-14,16,18,28H,3-6,10-11,15H2,1-2H3,(H,31,32)/b12-9+