2-[(1S,2R,3R)-6-methoxy-2-methoxycarbonyl-3-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-2,3-dihydro-1H-inden-1-yl]ethanoic acid

Systemtic Name: 2-[(1S,2R,3R)-6-methoxy-2-methoxycarbonyl-3-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-2,3-dihydro-1H-inden-1-yl]ethanoic acid Openeye Name: 2-[(1S,2R,3R)-5-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-2-methoxycarbonyl-indan-1-yl]acetic acid CAS Name: 2-[(1S,2R,3R)-5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2-methoxycarbonyl-2,3-dihydro-1H-inden-1-yl]acetic acid IUPAC Name: 2-[(1S,2R,3R)-5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2-methoxycarbonyl-2,3-dihydro-1H-inden-1-yl]acetic acid Traditional Name: 2-[(1S,2R,3R)-2-carbomethoxy-5-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-indan-1-yl]acetic acid Formula: C21H22O8 MolecularWeight: 402.39458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(C(C3=CC(=C(C=C23)O)OC)CC(=O)O)C(=O)OC)O

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H]2[C@@H]([C@@H](C3=CC(=C(C=C23)O)OC)CC(=O)O)C(=O)OC)O

InChI

InChI=1S/C21H22O8/c1-27-16-6-10(4-5-14(16)22)19-12-7-15(23)17(28-2)8-11(12)13(9-18(24)25)20(19)21(26)29-3/h4-8,13,19-20,22-23H,9H2,1-3H3,(H,24,25)/t13-,19-,20-/m1/s1