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

Systemtic Name: 8-[(2S)-3-methyl-2,3-bis(oxidanyl)butyl]-7-phenylmethoxy-chromen-2-one Openeye Name: 7-benzyloxy-8-[(2S)-2,3-dihydroxy-3-methyl-butyl]chromen-2-one CAS Name: 8-[(2S)-2,3-dihydroxy-3-methylbutyl]-7-phenylmethoxy-1-benzopyran-2-one IUPAC Name: 8-[(2S)-2,3-dihydroxy-3-methylbutyl]-7-phenylmethoxychromen-2-one Traditional Name: 7-benzoxy-8-[(2S)-2,3-dihydroxy-3-methyl-butyl]coumarin Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CC1=C(C=CC2=C1OC(=O)C=C2)OCC3=CC=CC=C3)O)O

Isomeric SMILES

CC(C)([C@H](CC1=C(C=CC2=C1OC(=O)C=C2)OCC3=CC=CC=C3)O)O

InChI

InChI=1S/C21H22O5/c1-21(2,24)18(22)12-16-17(25-13-14-6-4-3-5-7-14)10-8-15-9-11-19(23)26-20(15)16/h3-11,18,22,24H,12-13H2,1-2H3/t18-/m0/s1