sodium 3-[4-[2-(9H-xanthen-9-ylcarbonylamino)ethyl]phenyl]propanoate

Systemtic Name: sodium 3-[4-[2-(9H-xanthen-9-ylcarbonylamino)ethyl]phenyl]propanoate Openeye Name: sodium 3-[4-[2-(9H-xanthene-9-carbonylamino)ethyl]phenyl]propanoate CAS Name: sodium 3-[4-[2-[[oxo(9H-xanthen-9-yl)methyl]amino]ethyl]phenyl]propanoate IUPAC Name: sodium 3-[4-[2-(9H-xanthene-9-carbonylamino)ethyl]phenyl]propanoate Traditional Name: sodium 3-[4-[2-(9H-xanthene-9-carbonylamino)ethyl]phenyl]propionate Formula: C25H22NNaO4 MolecularWeight: 423.43625

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NCCC4=CC=C(C=C4)CCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NCCC4=CC=C(C=C4)CCC(=O)[O-].[Na+]

InChI

InChI=1S/C25H23NO4.Na/c27-23(28)14-13-17-9-11-18(12-10-17)15-16-26-25(29)24-19-5-1-3-7-21(19)30-22-8-4-2-6-20(22)24;/h1-12,24H,13-16H2,(H,26,29)(H,27,28);/q;+1/p-1