4-[(6-hexyl-2-oxidanylidene-4-phenyl-chromen-7-yl)oxymethyl]-5-methyl-furan-2-carboxylic acid

Systemtic Name: 4-[(6-hexyl-2-oxidanylidene-4-phenyl-chromen-7-yl)oxymethyl]-5-methyl-furan-2-carboxylic acid Openeye Name: 4-[(6-hexyl-2-oxo-4-phenyl-chromen-7-yl)oxymethyl]-5-methyl-furan-2-carboxylic acid CAS Name: 4-[(6-hexyl-2-oxo-4-phenyl-1-benzopyran-7-yl)oxymethyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-[(6-hexyl-2-oxo-4-phenylchromen-7-yl)oxymethyl]-5-methylfuran-2-carboxylic acid Traditional Name: 4-[(6-hexyl-2-keto-4-phenyl-chromen-7-yl)oxymethyl]-5-methyl-2-furoic acid Formula: C28H28O6 MolecularWeight: 460.51832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC4=C(OC(=C4)C(=O)O)C

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC4=C(OC(=C4)C(=O)O)C

InChI

InChI=1S/C28H28O6/c1-3-4-5-7-12-20-13-23-22(19-10-8-6-9-11-19)15-27(29)34-25(23)16-24(20)32-17-21-14-26(28(30)31)33-18(21)2/h6,8-11,13-16H,3-5,7,12,17H2,1-2H3,(H,30,31)