sodium (2,3-diethoxy-5,6-dioctyl-4-phenyl-phenyl)-diethoxy-methanesulfonate

Systemtic Name: sodium (2,3-diethoxy-5,6-dioctyl-4-phenyl-phenyl)-diethoxy-methanesulfonate Openeye Name: sodium (2,3-diethoxy-5,6-dioctyl-4-phenyl-phenyl)-diethoxy-methanesulfonate CAS Name: sodium (2,3-diethoxy-5,6-dioctyl-4-phenylphenyl)-diethoxymethanesulfonate IUPAC Name: sodium (2,3-diethoxy-5,6-dioctyl-4-phenylphenyl)-diethoxymethanesulfonate Traditional Name: sodium (2,3-diethoxy-5,6-dioctyl-4-phenyl-phenyl)-diethoxy-methanesulfonate Formula: C37H59NaO7S MolecularWeight: 670.91493

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C(=C1CCCCCCCC)C(OCC)(OCC)S(=O)(=O)[O-])OCC)OCC)C2=CC=CC=C2.[Na+]

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C(=C1CCCCCCCC)C(OCC)(OCC)S(=O)(=O)[O-])OCC)OCC)C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C37H60O7S.Na/c1-7-13-15-17-19-24-28-31-32(29-25-20-18-16-14-8-2)34(37(43-11-5,44-12-6)45(38,39)40)36(42-10-4)35(41-9-3)33(31)30-26-22-21-23-27-30;/h21-23,26-27H,7-20,24-25,28-29H2,1-6H3,(H,38,39,40);/q;+1/p-1