methyl 4-[(3S,4S)-4-(hydroxymethyl)-3-oxidanyl-5-oxidanylidene-5-phenylmethoxy-pentyl]naphthalene-2-carboxylate

Systemtic Name: methyl 4-[(3S,4S)-4-(hydroxymethyl)-3-oxidanyl-5-oxidanylidene-5-phenylmethoxy-pentyl]naphthalene-2-carboxylate Openeye Name: methyl 4-[(3S,4S)-5-benzyloxy-3-hydroxy-4-(hydroxymethyl)-5-oxo-pentyl]naphthalene-2-carboxylate CAS Name: 4-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)-5-oxo-5-phenylmethoxypentyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 4-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)-5-oxo-5-phenylmethoxypentyl]naphthalene-2-carboxylate Traditional Name: 4-[(3S,4S)-5-benzoxy-3-hydroxy-5-keto-4-methylol-pentyl]naphthalene-2-carboxylic acid methyl ester Formula: C25H26O6 MolecularWeight: 422.47034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C(=C1)CCC(C(CO)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C(=C1)CC[C@@H]([C@H](CO)C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C25H26O6/c1-30-24(28)20-13-18-9-5-6-10-21(18)19(14-20)11-12-23(27)22(15-26)25(29)31-16-17-7-3-2-4-8-17/h2-10,13-14,22-23,26-27H,11-12,15-16H2,1H3/t22-,23-/m0/s1