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

Systemtic Name: 2-[(3S,4R)-4-oxidanyl-3-(phenylmethyl)-3,4-dihydro-2H-chromen-7-yl]ethanoic acid Openeye Name: 2-[(3S,4R)-3-benzyl-4-hydroxy-chroman-7-yl]acetic acid CAS Name: 2-[(3S,4R)-4-hydroxy-3-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-7-yl]acetic acid IUPAC Name: 2-[(3S,4R)-3-benzyl-4-hydroxy-3,4-dihydro-2H-chromen-7-yl]acetic acid Traditional Name: 2-[(3S,4R)-3-benzyl-4-hydroxy-chroman-7-yl]acetic acid Formula: C18H18O4 MolecularWeight: 298.33312

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=C(O1)C=C(C=C2)CC(=O)O)O)CC3=CC=CC=C3

Isomeric SMILES

C1[C@@H]([C@H](C2=C(O1)C=C(C=C2)CC(=O)O)O)CC3=CC=CC=C3

InChI

InChI=1S/C18H18O4/c19-17(20)10-13-6-7-15-16(9-13)22-11-14(18(15)21)8-12-4-2-1-3-5-12/h1-7,9,14,18,21H,8,10-11H2,(H,19,20)/t14-,18+/m0/s1