sodium 9,9-bis(3-methoxy-3-oxidanylidene-propyl)fluorene-3-sulfonate

Systemtic Name: sodium 9,9-bis(3-methoxy-3-oxidanylidene-propyl)fluorene-3-sulfonate Openeye Name: sodium 9,9-bis(3-methoxy-3-oxo-propyl)fluorene-3-sulfonate CAS Name: sodium 9,9-bis(3-methoxy-3-oxopropyl)-3-fluorenesulfonate IUPAC Name: sodium 9,9-bis(3-methoxy-3-oxopropyl)fluorene-3-sulfonate Traditional Name: sodium 9,9-bis(3-keto-3-methoxy-propyl)fluorene-3-sulfonate Formula: C21H21NaO7S MolecularWeight: 440.44201

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1(C2=C(C=C(C=C2)S(=O)(=O)[O-])C3=CC=CC=C31)CCC(=O)OC.[Na+]

Isomeric SMILES

COC(=O)CCC1(C2=C(C=C(C=C2)S(=O)(=O)[O-])C3=CC=CC=C31)CCC(=O)OC.[Na+]

InChI

InChI=1S/C21H22O7S.Na/c1-27-19(22)9-11-21(12-10-20(23)28-2)17-6-4-3-5-15(17)16-13-14(29(24,25)26)7-8-18(16)21;/h3-8,13H,9-12H2,1-2H3,(H,24,25,26);/q;+1/p-1