sodium (2S)-2-methoxy-3-[4-[3-(4-oxidanylidene-2-phenyl-chromen-6-yl)oxyprop-1-ynyl]phenyl]propanoate

Systemtic Name: sodium (2S)-2-methoxy-3-[4-[3-(4-oxidanylidene-2-phenyl-chromen-6-yl)oxyprop-1-ynyl]phenyl]propanoate Openeye Name: sodium (2S)-2-methoxy-3-[4-[3-(4-oxo-2-phenyl-chromen-6-yl)oxyprop-1-ynyl]phenyl]propanoate CAS Name: sodium (2S)-2-methoxy-3-[4-[3-[(4-oxo-2-phenyl-1-benzopyran-6-yl)oxy]prop-1-ynyl]phenyl]propanoate IUPAC Name: sodium (2S)-2-methoxy-3-[4-[3-(4-oxo-2-phenylchromen-6-yl)oxyprop-1-ynyl]phenyl]propanoate Traditional Name: sodium (2S)-3-[4-[3-(4-keto-2-phenyl-chromen-6-yl)oxyprop-1-ynyl]phenyl]-2-methoxy-propionate Formula: C28H21NaO6 MolecularWeight: 476.45251

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=C(C=C1)C#CCOC2=CC3=C(C=C2)OC(=CC3=O)C4=CC=CC=C4)C(=O)[O-].[Na+]

Isomeric SMILES

CO[C@@H](CC1=CC=C(C=C1)C#CCOC2=CC3=C(C=C2)OC(=CC3=O)C4=CC=CC=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C28H22O6.Na/c1-32-27(28(30)31)16-20-11-9-19(10-12-20)6-5-15-33-22-13-14-25-23(17-22)24(29)18-26(34-25)21-7-3-2-4-8-21;/h2-4,7-14,17-18,27H,15-16H2,1H3,(H,30,31);/q;+1/p-1/t27-;/m0./s1