sodium 3-(9H-fluoren-9-ylmethoxycarbonylamino)propane-1-sulfonate

Systemtic Name: sodium 3-(9H-fluoren-9-ylmethoxycarbonylamino)propane-1-sulfonate Openeye Name: sodium 3-(9H-fluoren-9-ylmethoxycarbonylamino)propane-1-sulfonate CAS Name: sodium 3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-propanesulfonate IUPAC Name: sodium 3-(9H-fluoren-9-ylmethoxycarbonylamino)propane-1-sulfonate Traditional Name: sodium 3-(9H-fluoren-9-ylmethoxycarbonylamino)propane-1-sulfonate Formula: C18H18NNaO5S MolecularWeight: 383.39399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H19NO5S.Na/c20-18(19-10-5-11-25(21,22)23)24-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17;/h1-4,6-9,17H,5,10-12H2,(H,19,20)(H,21,22,23);/q;+1/p-1