(2S,3S)-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-methoxycarbonyl-3-oxidanyl-pentanedioate

Systemtic Name: (2S,3S)-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-methoxycarbonyl-3-oxidanyl-pentanedioate Openeye Name: (2S,3S)-3-hydroxy-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-methoxycarbonyl-pentanedioate CAS Name: (2S,3S)-3-hydroxy-2-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]-3-methoxycarbonylpentanedioate IUPAC Name: (2S,3S)-3-hydroxy-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-methoxycarbonylpentanedioate Traditional Name: (2S,3S)-3-carbomethoxy-3-hydroxy-2-[(E)-3-(4-hydroxyphenyl)acryloyl]oxy-glutarate Formula: C16H14O10-2 MolecularWeight: 366.27636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)[O-])(C(C(=O)[O-])OC(=O)C=CC1=CC=C(C=C1)O)O

Isomeric SMILES

COC(=O)[C@](CC(=O)[O-])([C@@H](C(=O)[O-])OC(=O)/C=C/C1=CC=C(C=C1)O)O

InChI

InChI=1S/C16H16O10/c1-25-15(23)16(24,8-11(18)19)13(14(21)22)26-12(20)7-4-9-2-5-10(17)6-3-9/h2-7,13,17,24H,8H2,1H3,(H,18,19)(H,21,22)/p-2/b7-4+/t13-,16+/m1/s1