(3S,4S)-3-bromanyl-4-(3,4-dimethoxyphenyl)carbonyl-6,7-dimethoxy-3,4-dihydrochromen-2-one

Systemtic Name: (3S,4S)-3-bromanyl-4-(3,4-dimethoxyphenyl)carbonyl-6,7-dimethoxy-3,4-dihydrochromen-2-one Openeye Name: (3S,4S)-3-bromo-4-(3,4-dimethoxybenzoyl)-6,7-dimethoxy-chroman-2-one CAS Name: (3S,4S)-3-bromo-4-[(3,4-dimethoxyphenyl)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-2-one IUPAC Name: (3S,4S)-3-bromo-4-(3,4-dimethoxybenzoyl)-6,7-dimethoxy-3,4-dihydrochromen-2-one Traditional Name: (3S,4S)-3-bromo-6,7-dimethoxy-4-veratroyl-chroman-2-one Formula: C20H19BrO7 MolecularWeight: 451.26466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2C(C(=O)OC3=CC(=C(C=C23)OC)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2[C@@H](C(=O)OC3=CC(=C(C=C23)OC)OC)Br)OC

InChI

InChI=1S/C20H19BrO7/c1-24-12-6-5-10(7-14(12)25-2)19(22)17-11-8-15(26-3)16(27-4)9-13(11)28-20(23)18(17)21/h5-9,17-18H,1-4H3/t17-,18+/m1/s1