3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl]propanoic acid

Systemtic Name: 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl]propanoic acid Openeye Name: 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl]propanoic acid CAS Name: 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl]propanoic acid IUPAC Name: 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl]propanoic acid Traditional Name: 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-keto-5,9-dimethyl-furo[3,2-g]chromen-6-yl]propionic acid Formula: C25H22O7 MolecularWeight: 434.43798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C4=CC5=C(C=C4)OCCCO5)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C4=CC5=C(C=C4)OCCCO5)CCC(=O)O

InChI

InChI=1S/C25H22O7/c1-13-16(5-7-22(26)27)25(28)32-24-14(2)23-18(11-17(13)24)19(12-31-23)15-4-6-20-21(10-15)30-9-3-8-29-20/h4,6,10-12H,3,5,7-9H2,1-2H3,(H,26,27)