sodium 1-[4-[4-(1-sulfobutoxy)phenyl]phenoxy]butane-1-sulfonic acid

Systemtic Name: sodium 1-[4-[4-(1-sulfobutoxy)phenyl]phenoxy]butane-1-sulfonic acid Openeye Name: sodium 1-[4-[4-(1-sulfobutoxy)phenyl]phenoxy]butane-1-sulfonic acid CAS Name: sodium 1-[4-[4-(1-sulfobutoxy)phenyl]phenoxy]-1-butanesulfonic acid IUPAC Name: sodium 1-[4-[4-(1-sulfobutoxy)phenyl]phenoxy]butane-1-sulfonic acid Traditional Name: sodium 1-[4-[4-(1-sulfobutoxy)phenyl]phenoxy]butane-1-sulfonic acid Formula: C20H26NaO8S2+ MolecularWeight: 481.53541

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(OC1=CC=C(C=C1)C2=CC=C(C=C2)OC(CCC)S(=O)(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCC(OC1=CC=C(C=C1)C2=CC=C(C=C2)OC(CCC)S(=O)(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C20H26O8S2.Na/c1-3-5-19(29(21,22)23)27-17-11-7-15(8-12-17)16-9-13-18(14-10-16)28-20(6-4-2)30(24,25)26;/h7-14,19-20H,3-6H2,1-2H3,(H,21,22,23)(H,24,25,26);/q;+1