methyl 3-bromanyl-2,2-dimethyl-6-oxidanyl-benzo[h]chromene-5-carboxylate

Systemtic Name: methyl 3-bromanyl-2,2-dimethyl-6-oxidanyl-benzo[h]chromene-5-carboxylate Openeye Name: methyl 3-bromo-6-hydroxy-2,2-dimethyl-benzo[h]chromene-5-carboxylate CAS Name: 3-bromo-6-hydroxy-2,2-dimethyl-5-benzo[h][1]benzopyrancarboxylic acid methyl ester IUPAC Name: methyl 3-bromo-6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate Traditional Name: 3-bromo-6-hydroxy-2,2-dimethyl-benzo[h]chromene-5-carboxylic acid methyl ester Formula: C17H15BrO4 MolecularWeight: 363.2026

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)Br)C

Isomeric SMILES

CC1(C(=CC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)Br)C

InChI

InChI=1S/C17H15BrO4/c1-17(2)12(18)8-11-13(16(20)21-3)14(19)9-6-4-5-7-10(9)15(11)22-17/h4-8,19H,1-3H3