(1S,2R)-2-bromanyl-6-methoxy-3,3-dimethyl-1-oxidanyl-1,2-dihydrothiochromeno[2,3-f]chromen-7-one

Systemtic Name: (1S,2R)-2-bromanyl-6-methoxy-3,3-dimethyl-1-oxidanyl-1,2-dihydrothiochromeno[2,3-f]chromen-7-one Openeye Name: (1S,2R)-2-bromo-1-hydroxy-6-methoxy-3,3-dimethyl-1,2-dihydrothiochromeno[2,3-f]chromen-7-one CAS Name: (1S,2R)-2-bromo-1-hydroxy-6-methoxy-3,3-dimethyl-1,2-dihydrothiochromeno[2,3-f][1]benzopyran-7-one IUPAC Name: (1S,2R)-2-bromo-1-hydroxy-6-methoxy-3,3-dimethyl-1,2-dihydrothiochromeno[2,3-f]chromen-7-one Traditional Name: (1S,2R)-2-bromo-1-hydroxy-6-methoxy-3,3-dimethyl-1,2-dihydrothiochromeno[2,3-f]chromen-7-one Formula: C19H17BrO4S MolecularWeight: 421.30488

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4S3)O)Br)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4S3)O)Br)C

InChI

InChI=1S/C19H17BrO4S/c1-19(2)18(20)16(22)14-11(24-19)8-10(23-3)13-15(21)9-6-4-5-7-12(9)25-17(13)14/h4-8,16,18,22H,1-3H3/t16-,18+/m0/s1