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4-[5-[4-(4-sulfobutoxy)phenyl]hexan-3-yl]benzoic acid

4-[5-[4-(4-sulfobutoxy)phenyl]hexan-3-yl]benzoic acid

Systemtic Name:4-[5-[4-(4-sulfobutoxy)phenyl]hexan-3-yl]benzoic acid
Openeye Name:4-[1-ethyl-3-[4-(4-sulfobutoxy)phenyl]butyl]benzoic acid
CAS Name:4-[5-[4-(4-sulfobutoxy)phenyl]hexan-3-yl]benzoic acid
IUPAC Name:4-[5-[4-(4-sulfobutoxy)phenyl]hexan-3-yl]benzoic acid
Traditional Name:4-[1-ethyl-3-[4-(4-sulfobutoxy)phenyl]butyl]benzoic acid
Formula: C23H30O6S
MolecularWeight: 434.5457
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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


Isomeric SMILES

CCC(CC(C)C1=CC=C(C=C1)OCCCCS(=O)(=O)O)C2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C23H30O6S/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)


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