2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(sulfomethyl)phenyl]propanoic acid

Systemtic Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(sulfomethyl)phenyl]propanoic acid Openeye Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(sulfomethyl)phenyl]propanoic acid CAS Name: 2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[4-(sulfomethyl)phenyl]propanoic acid IUPAC Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(sulfomethyl)phenyl]propanoic acid Traditional Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(sulfomethyl)phenyl]propionic acid Formula: C25H23NO7S MolecularWeight: 481.51762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC=C(C=C4)CS(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC=C(C=C4)CS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C25H23NO7S/c27-24(28)23(13-16-9-11-17(12-10-16)15-34(30,31)32)26-25(29)33-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22-23H,13-15H2,(H,26,29)(H,27,28)(H,30,31,32)