sodium 4-[4-[4-(4-hydroxyphenyl)hexan-2-yl]phenoxy]butane-1-sulfonate

Systemtic Name: sodium 4-[4-[4-(4-hydroxyphenyl)hexan-2-yl]phenoxy]butane-1-sulfonate Openeye Name: sodium 4-[4-[3-(4-hydroxyphenyl)-1-methyl-pentyl]phenoxy]butane-1-sulfonate CAS Name: sodium 4-[4-[4-(4-hydroxyphenyl)hexan-2-yl]phenoxy]-1-butanesulfonate IUPAC Name: sodium 4-[4-[4-(4-hydroxyphenyl)hexan-2-yl]phenoxy]butane-1-sulfonate Traditional Name: sodium 4-[4-[3-(4-hydroxyphenyl)-1-methyl-pentyl]phenoxy]butane-1-sulfonate Formula: C22H29NaO5S MolecularWeight: 428.51743

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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.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C22H30O5S.Na/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);/q;+1/p-1