4-[4-[4-(4-hydroxyphenyl)hexan-2-yl]phenoxy]butane-1-sulfonic acid

Systemtic Name: 4-[4-[4-(4-hydroxyphenyl)hexan-2-yl]phenoxy]butane-1-sulfonic acid Openeye Name: 4-[4-[3-(4-hydroxyphenyl)-1-methyl-pentyl]phenoxy]butane-1-sulfonic acid CAS Name: 4-[4-[4-(4-hydroxyphenyl)hexan-2-yl]phenoxy]-1-butanesulfonic acid IUPAC Name: 4-[4-[4-(4-hydroxyphenyl)hexan-2-yl]phenoxy]butane-1-sulfonic acid Traditional Name: 4-[4-[3-(4-hydroxyphenyl)-1-methyl-pentyl]phenoxy]butane-1-sulfonic acid Formula: C22H30O5S MolecularWeight: 406.5356

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H30O5S/c1-3-18(20-6-10-21(23)11-7-20)16-17(2)19-8-12-22(13-9-19)27-14-4-5-15-28(24,25)26/h6-13,17-18,23H,3-5,14-16H2,1-2H3,(H,24,25,26)