sodium [2,3-bis[3-(3-methoxy-4-oxidanyl-phenyl)propanoyl]phenyl] phosphate

Systemtic Name: sodium [2,3-bis[3-(3-methoxy-4-oxidanyl-phenyl)propanoyl]phenyl] phosphate Openeye Name: sodium [2,3-bis[3-(4-hydroxy-3-methoxy-phenyl)propanoyl]phenyl] phosphate CAS Name: sodium [2,3-bis[3-(4-hydroxy-3-methoxyphenyl)-1-oxopropyl]phenyl] phosphate IUPAC Name: sodium [2,3-bis[3-(4-hydroxy-3-methoxyphenyl)propanoyl]phenyl] phosphate Traditional Name: sodium [2,3-bis[3-(4-hydroxy-3-methoxy-phenyl)propanoyl]phenyl] phosphate Formula: C26H25NaO10P- MolecularWeight: 551.434231

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=O)C2=C(C(=CC=C2)OP(=O)([O-])[O-])C(=O)CCC3=CC(=C(C=C3)O)OC)O.[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=O)C2=C(C(=CC=C2)OP(=O)([O-])[O-])C(=O)CCC3=CC(=C(C=C3)O)OC)O.[Na+]

InChI

InChI=1S/C26H27O10P.Na/c1-34-24-14-16(7-11-20(24)28)6-10-19(27)18-4-3-5-23(36-37(31,32)33)26(18)22(30)13-9-17-8-12-21(29)25(15-17)35-2;/h3-5,7-8,11-12,14-15,28-29H,6,9-10,13H2,1-2H3,(H2,31,32,33);/q;+1/p-2