O1-ethyl O4-methyl (Z)-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-oxidanyl-methyl]but-2-enedioate

Systemtic Name: O1-ethyl O4-methyl (Z)-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-oxidanyl-methyl]but-2-enedioate Openeye Name: O1-ethyl O4-methyl (Z)-2-[[(4S,5S)-5-(benzyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxy-methyl]but-2-enedioate CAS Name: (Z)-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-hydroxymethyl]-2-butenedioic acid O1-ethyl ester O4-methyl ester IUPAC Name: 1-O-ethyl 4-O-methyl (Z)-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-hydroxymethyl]but-2-enedioate Traditional Name: (Z)-2-[[(4S,5S)-5-(benzoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxy-methyl]but-2-enedioic acid O1-ethyl ester O4-methyl ester Formula: C21H28O8 MolecularWeight: 408.44222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(=O)OC)C(C1C(OC(O1)(C)C)COCC2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)/C(=C\C(=O)OC)/C([C@H]1[C@@H](OC(O1)(C)C)COCC2=CC=CC=C2)O

InChI

InChI=1S/C21H28O8/c1-5-27-20(24)15(11-17(22)25-4)18(23)19-16(28-21(2,3)29-19)13-26-12-14-9-7-6-8-10-14/h6-11,16,18-19,23H,5,12-13H2,1-4H3/b15-11-/t16-,18?,19+/m0/s1