3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-octoxy-4-phenylmethoxy-chromen-2-one

Systemtic Name: 3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-octoxy-4-phenylmethoxy-chromen-2-one Openeye Name: 4-benzyloxy-7-octoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one CAS Name: 7-octoxy-4-phenylmethoxy-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-2-one IUPAC Name: 7-octoxy-4-phenylmethoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one Traditional Name: 4-benzoxy-7-octoxy-3-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-coumarin Formula: C30H38O10 MolecularWeight: 558.61672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3C(C(C(C(O3)CO)O)O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3C(C(C(C(O3)CO)O)O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H38O10/c1-2-3-4-5-6-10-15-36-20-13-14-21-22(16-20)38-29(35)28(27(21)37-18-19-11-8-7-9-12-19)40-30-26(34)25(33)24(32)23(17-31)39-30/h7-9,11-14,16,23-26,30-34H,2-6,10,15,17-18H2,1H3