(3S,4R)-3-bromanyl-2,2-dimethyl-4-oxidanyl-3,4-dihydrobenzo[h]chromene-6-carbonitrile

Systemtic Name: (3S,4R)-3-bromanyl-2,2-dimethyl-4-oxidanyl-3,4-dihydrobenzo[h]chromene-6-carbonitrile Openeye Name: (3S,4R)-3-bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-6-carbonitrile CAS Name: (3S,4R)-3-bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[h][1]benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-3-bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-6-carbonitrile Traditional Name: (3S,4R)-3-bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-6-carbonitrile Formula: C16H14BrNO2 MolecularWeight: 332.19186

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C3=CC=CC=C3C(=C2)C#N)O)Br)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C3=CC=CC=C3C(=C2)C#N)O)Br)C

InChI

InChI=1S/C16H14BrNO2/c1-16(2)15(17)13(19)12-7-9(8-18)10-5-3-4-6-11(10)14(12)20-16/h3-7,13,15,19H,1-2H3/t13-,15+/m1/s1