barium(2+); 2-(9H-fluoren-9-yloxycarbonylamino)-3-(4-sulfonatooxyphenyl)propanoate

Systemtic Name: barium(2+); 2-(9H-fluoren-9-yloxycarbonylamino)-3-(4-sulfonatooxyphenyl)propanoate Openeye Name: barium(2+); 2-(9H-fluoren-9-yloxycarbonylamino)-3-(4-sulfonatooxyphenyl)propanoate CAS Name: barium(2+); 2-[[9H-fluoren-9-yloxy(oxo)methyl]amino]-3-(4-sulfonatooxyphenyl)propanoate IUPAC Name: barium(2+); 2-(9H-fluoren-9-yloxycarbonylamino)-3-(4-sulfonatooxyphenyl)propanoate Traditional Name: barium(2+); 2-(9H-fluoren-9-yloxycarbonylamino)-3-(4-sulfatophenyl)propionate Formula: C23H17BaNO8S MolecularWeight: 604.77498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)OC(=O)NC(CC4=CC=C(C=C4)OS(=O)(=O)[O-])C(=O)[O-].[Ba+2]

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)OC(=O)NC(CC4=CC=C(C=C4)OS(=O)(=O)[O-])C(=O)[O-].[Ba+2]

InChI

InChI=1S/C23H19NO8S.Ba/c25-22(26)20(13-14-9-11-15(12-10-14)32-33(28,29)30)24-23(27)31-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21;/h1-12,20-21H,13H2,(H,24,27)(H,25,26)(H,28,29,30);/q;+2/p-2