methyl (2S,3S)-2-(1,3-benzodioxol-5-yl)-4-oxidanyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: methyl (2S,3S)-2-(1,3-benzodioxol-5-yl)-4-oxidanyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: methyl (2S,3S)-2-(1,3-benzodioxol-5-yl)-4-hydroxy-chromane-3-carboxylate CAS Name: (2S,3S)-2-(1,3-benzodioxol-5-yl)-4-hydroxy-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (2S,3S)-2-(1,3-benzodioxol-5-yl)-4-hydroxy-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (2S,3S)-2-(1,3-benzodioxol-5-yl)-4-hydroxy-chroman-3-carboxylic acid methyl ester Formula: C18H16O6 MolecularWeight: 328.31604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C2=CC=CC=C2OC1C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

COC(=O)[C@@H]1[C@H](OC2=CC=CC=C2C1O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16O6/c1-21-18(20)15-16(19)11-4-2-3-5-12(11)24-17(15)10-6-7-13-14(8-10)23-9-22-13/h2-8,15-17,19H,9H2,1H3/t15-,16?,17+/m0/s1