(2S,3S)-2,3-bis(4-methylphenoxy)butanedioic acid hydrate

Systemtic Name: (2S,3S)-2,3-bis(4-methylphenoxy)butanedioic acid hydrate Openeye Name: (2S,3S)-2,3-bis(4-methylphenoxy)butanedioic acid hydrate CAS Name: (2S,3S)-2,3-bis(4-methylphenoxy)butanedioic acid hydrate IUPAC Name: (2S,3S)-2,3-bis(4-methylphenoxy)butanedioic acid hydrate Traditional Name: (2S,3S)-2,3-bis(4-methylphenoxy)succinic acid hydrate Formula: C18H20O7 MolecularWeight: 348.3472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C(C(=O)O)OC2=CC=C(C=C2)C)C(=O)O.O

Isomeric SMILES

CC1=CC=C(C=C1)O[C@@H]([C@@H](C(=O)O)OC2=CC=C(C=C2)C)C(=O)O.O

InChI

InChI=1S/C18H18O6.H2O/c1-11-3-7-13(8-4-11)23-15(17(19)20)16(18(21)22)24-14-9-5-12(2)6-10-14;/h3-10,15-16H,1-2H3,(H,19,20)(H,21,22);1H2/t15-,16-;/m0./s1