4-[4-ethyl-3-(4-sulfobutoxy)phenoxy]butane-1-sulfonic acid

Systemtic Name: 4-[4-ethyl-3-(4-sulfobutoxy)phenoxy]butane-1-sulfonic acid Openeye Name: 4-[4-ethyl-3-(4-sulfobutoxy)phenoxy]butane-1-sulfonic acid CAS Name: 4-[4-ethyl-3-(4-sulfobutoxy)phenoxy]-1-butanesulfonic acid IUPAC Name: 4-[4-ethyl-3-(4-sulfobutoxy)phenoxy]butane-1-sulfonic acid Traditional Name: 4-[4-ethyl-3-(4-sulfobutoxy)phenoxy]butane-1-sulfonic acid Formula: C16H26O8S2 MolecularWeight: 410.50284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)OCCCCS(=O)(=O)O)OCCCCS(=O)(=O)O

Isomeric SMILES

CCC1=C(C=C(C=C1)OCCCCS(=O)(=O)O)OCCCCS(=O)(=O)O

InChI

InChI=1S/C16H26O8S2/c1-2-14-7-8-15(23-9-3-5-11-25(17,18)19)13-16(14)24-10-4-6-12-26(20,21)22/h7-8,13H,2-6,9-12H2,1H3,(H,17,18,19)(H,20,21,22)