2,3-bis(butoxycarbonyl)-4-phenyl-benzenesulfonate

Systemtic Name: 2,3-bis(butoxycarbonyl)-4-phenyl-benzenesulfonate Openeye Name: 2,3-bis(butoxycarbonyl)-4-phenyl-benzenesulfonate CAS Name: 2,3-bis[butoxy(oxo)methyl]-4-phenylbenzenesulfonate IUPAC Name: 2,3-bis(butoxycarbonyl)-4-phenylbenzenesulfonate Traditional Name: 2,3-bis(butoxycarbonyl)-4-phenyl-besylate Formula: C22H25O7S- MolecularWeight: 433.4947

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1C(=O)OCCCC)S(=O)(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1C(=O)OCCCC)S(=O)(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C22H26O7S/c1-3-5-14-28-21(23)19-17(16-10-8-7-9-11-16)12-13-18(30(25,26)27)20(19)22(24)29-15-6-4-2/h7-13H,3-6,14-15H2,1-2H3,(H,25,26,27)/p-1