sodium bis[2,3-di(nonyl)phenyl] sulfate

Systemtic Name: sodium bis[2,3-di(nonyl)phenyl] sulfate Openeye Name: sodium bis[2,3-di(nonyl)phenyl] sulfate CAS Name: sodium sulfuric acid bis[2,3-di(nonyl)phenyl] ester IUPAC Name: sodium bis[2,3-di(nonyl)phenyl] sulfate Traditional Name: sodium sulfuric acid bis[2,3-di(nonyl)phenyl] ester Formula: C48H82NaO4S+ MolecularWeight: 778.21705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=CC=C1)OS(=O)(=O)OC2=CC=CC(=C2CCCCCCCCC)CCCCCCCCC)CCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCC1=C(C(=CC=C1)OS(=O)(=O)OC2=CC=CC(=C2CCCCCCCCC)CCCCCCCCC)CCCCCCCCC.[Na+]

InChI

InChI=1S/C48H82O4S.Na/c1-5-9-13-17-21-25-29-35-43-37-33-41-47(45(43)39-31-27-23-19-15-11-7-3)51-53(49,50)52-48-42-34-38-44(36-30-26-22-18-14-10-6-2)46(48)40-32-28-24-20-16-12-8-4;/h33-34,37-38,41-42H,5-32,35-36,39-40H2,1-4H3;/q;+1