disodium 4-[5-[4-(4-sulfonatobutoxy)phenyl]hexan-3-yl]benzoate

Systemtic Name: disodium 4-[5-[4-(4-sulfonatobutoxy)phenyl]hexan-3-yl]benzoate Openeye Name: disodium 4-[1-ethyl-3-[4-(4-sulfonatobutoxy)phenyl]butyl]benzoate CAS Name: disodium 4-[5-[4-(4-sulfonatobutoxy)phenyl]hexan-3-yl]benzoate IUPAC Name: disodium 4-[5-[4-(4-sulfonatobutoxy)phenyl]hexan-3-yl]benzoate Traditional Name: disodium 4-[1-ethyl-3-[4-(4-sulfonatobutoxy)phenyl]butyl]benzoate Formula: C23H28Na2O6S MolecularWeight: 478.50936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C1=CC=C(C=C1)OCCCCS(=O)(=O)[O-])C2=CC=C(C=C2)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCC(CC(C)C1=CC=C(C=C1)OCCCCS(=O)(=O)[O-])C2=CC=C(C=C2)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C23H30O6S.2Na/c1-3-18(20-6-8-21(9-7-20)23(24)25)16-17(2)19-10-12-22(13-11-19)29-14-4-5-15-30(26,27)28;;/h6-13,17-18H,3-5,14-16H2,1-2H3,(H,24,25)(H,26,27,28);;/q;2*+1/p-2