(3R,4S)-4-bromanyl-3-(3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydroisochromen-1-one

Systemtic Name: (3R,4S)-4-bromanyl-3-(3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydroisochromen-1-one Openeye Name: (3R,4S)-4-bromo-3-(3,4-dimethoxyphenyl)-8-methoxy-isochroman-1-one CAS Name: (3R,4S)-4-bromo-3-(3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3R,4S)-4-bromo-3-(3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydroisochromen-1-one Traditional Name: (3R,4S)-4-bromo-3-(3,4-dimethoxyphenyl)-8-methoxy-isochroman-1-one Formula: C18H17BrO5 MolecularWeight: 393.22858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C3=C(C(=CC=C3)OC)C(=O)O2)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2[C@H](C3=C(C(=CC=C3)OC)C(=O)O2)Br)OC

InChI

InChI=1S/C18H17BrO5/c1-21-12-8-7-10(9-14(12)23-3)17-16(19)11-5-4-6-13(22-2)15(11)18(20)24-17/h4-9,16-17H,1-3H3/t16-,17+/m0/s1