2-[(3S,4R)-4-oxidanyl-3-(phenylmethyl)-3,4-dihydro-2H-chromen-7-yl]terephthalic acid

Systemtic Name: 2-[(3S,4R)-4-oxidanyl-3-(phenylmethyl)-3,4-dihydro-2H-chromen-7-yl]terephthalic acid Openeye Name: 2-[(3S,4R)-3-benzyl-4-hydroxy-chroman-7-yl]terephthalic acid CAS Name: 2-[(3S,4R)-4-hydroxy-3-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-7-yl]terephthalic acid IUPAC Name: 2-[(3S,4R)-3-benzyl-4-hydroxy-3,4-dihydro-2H-chromen-7-yl]terephthalic acid Traditional Name: 2-[(3S,4R)-3-benzyl-4-hydroxy-chroman-7-yl]terephthalic acid Formula: C24H20O6 MolecularWeight: 404.412

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=C(O1)C=C(C=C2)C3=C(C=CC(=C3)C(=O)O)C(=O)O)O)CC4=CC=CC=C4

Isomeric SMILES

C1[C@@H]([C@H](C2=C(O1)C=C(C=C2)C3=C(C=CC(=C3)C(=O)O)C(=O)O)O)CC4=CC=CC=C4

InChI

InChI=1S/C24H20O6/c25-22-17(10-14-4-2-1-3-5-14)13-30-21-12-15(6-9-19(21)22)20-11-16(23(26)27)7-8-18(20)24(28)29/h1-9,11-12,17,22,25H,10,13H2,(H,26,27)(H,28,29)/t17-,22+/m0/s1