disodium 10-[4-[4-(10-sulfonatodecyl)phenoxy]phenyl]decane-1-sulfonate

Systemtic Name: disodium 10-[4-[4-(10-sulfonatodecyl)phenoxy]phenyl]decane-1-sulfonate Openeye Name: disodium 10-[4-[4-(10-sulfonatodecyl)phenoxy]phenyl]decane-1-sulfonate CAS Name: disodium 10-[4-[4-(10-sulfonatodecyl)phenoxy]phenyl]-1-decanesulfonate IUPAC Name: disodium 10-[4-[4-(10-sulfonatodecyl)phenoxy]phenyl]decane-1-sulfonate Traditional Name: disodium 10-[4-[4-(10-sulfonatodecyl)phenoxy]phenyl]decane-1-sulfonate Formula: C32H48Na2O7S2 MolecularWeight: 654.82886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCCCCCCS(=O)(=O)[O-])OC2=CC=C(C=C2)CCCCCCCCCCS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1CCCCCCCCCCS(=O)(=O)[O-])OC2=CC=C(C=C2)CCCCCCCCCCS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C32H50O7S2.2Na/c33-40(34,35)27-15-11-7-3-1-5-9-13-17-29-19-23-31(24-20-29)39-32-25-21-30(22-26-32)18-14-10-6-2-4-8-12-16-28-41(36,37)38;;/h19-26H,1-18,27-28H2,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2