8-[(1S,2R)-3-methyl-1,2,3-tris(oxidanyl)butyl]-7-phenylmethoxy-chromen-2-one

Systemtic Name: 8-[(1S,2R)-3-methyl-1,2,3-tris(oxidanyl)butyl]-7-phenylmethoxy-chromen-2-one Openeye Name: 7-benzyloxy-8-[(1S,2R)-1,2,3-trihydroxy-3-methyl-butyl]chromen-2-one CAS Name: 7-phenylmethoxy-8-[(1S,2R)-1,2,3-trihydroxy-3-methylbutyl]-1-benzopyran-2-one IUPAC Name: 7-phenylmethoxy-8-[(1S,2R)-1,2,3-trihydroxy-3-methylbutyl]chromen-2-one Traditional Name: 7-benzoxy-8-[(1S,2R)-1,2,3-trihydroxy-3-methyl-butyl]coumarin Formula: C21H22O6 MolecularWeight: 370.39578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(C1=C(C=CC2=C1OC(=O)C=C2)OCC3=CC=CC=C3)O)O)O

Isomeric SMILES

CC(C)([C@@H]([C@H](C1=C(C=CC2=C1OC(=O)C=C2)OCC3=CC=CC=C3)O)O)O

InChI

InChI=1S/C21H22O6/c1-21(2,25)20(24)18(23)17-15(26-12-13-6-4-3-5-7-13)10-8-14-9-11-16(22)27-19(14)17/h3-11,18,20,23-25H,12H2,1-2H3/t18-,20+/m0/s1