sodium 3,5-bis(hexadecoxycarbonyl)benzenesulfonate

Systemtic Name: sodium 3,5-bis(hexadecoxycarbonyl)benzenesulfonate Openeye Name: sodium 3,5-bis(hexadecoxycarbonyl)benzenesulfonate CAS Name: sodium 3,5-bis[hexadecoxy(oxo)methyl]benzenesulfonate IUPAC Name: sodium 3,5-bis(hexadecoxycarbonyl)benzenesulfonate Traditional Name: sodium 3,5-bis(cetyloxycarbonyl)besylate Formula: C40H69NaO7S MolecularWeight: 717.02643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OCCCCCCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OCCCCCCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C40H70O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-46-39(41)36-33-37(35-38(34-36)48(43,44)45)40(42)47-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h33-35H,3-32H2,1-2H3,(H,43,44,45);/q;+1/p-1