sodium 2-[3-[4-[(2S)-2-methoxy-3-oxidanyl-3-oxidanylidene-propyl]phenoxy]propoxy]benzoic acid

Systemtic Name: sodium 2-[3-[4-[(2S)-2-methoxy-3-oxidanyl-3-oxidanylidene-propyl]phenoxy]propoxy]benzoic acid Openeye Name: sodium 2-[3-[4-[(2S)-3-hydroxy-2-methoxy-3-oxo-propyl]phenoxy]propoxy]benzoic acid CAS Name: sodium 2-[3-[4-[(2S)-3-hydroxy-2-methoxy-3-oxopropyl]phenoxy]propoxy]benzoic acid IUPAC Name: sodium 2-[3-[4-[(2S)-3-hydroxy-2-methoxy-3-oxopropyl]phenoxy]propoxy]benzoic acid Traditional Name: sodium 2-[3-[4-[(2S)-3-hydroxy-3-keto-2-methoxy-propyl]phenoxy]propoxy]benzoic acid Formula: C20H22NaO7+ MolecularWeight: 397.37425

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=C(C=C1)OCCCOC2=CC=CC=C2C(=O)O)C(=O)O.[Na+]

Isomeric SMILES

CO[C@@H](CC1=CC=C(C=C1)OCCCOC2=CC=CC=C2C(=O)O)C(=O)O.[Na+]

InChI

InChI=1S/C20H22O7.Na/c1-25-18(20(23)24)13-14-7-9-15(10-8-14)26-11-4-12-27-17-6-3-2-5-16(17)19(21)22;/h2-3,5-10,18H,4,11-13H2,1H3,(H,21,22)(H,23,24);/q;+1/t18-;/m0./s1