4-[4-(5-methylhex-4-enoxy)phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-[4-(5-methylhex-4-enoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[4-(5-methylhex-4-enoxy)phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[4-(5-methylhex-4-enoxy)phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[4-(5-methylhex-4-enoxy)phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[4-(5-methylhex-4-enoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C17H27O7PS MolecularWeight: 406.430841

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCCOC1=CC=C(C=C1)CCCC(P(=O)(O)O)S(=O)(=O)O)C

Isomeric SMILES

CC(=CCCCOC1=CC=C(C=C1)CCCC(P(=O)(O)O)S(=O)(=O)O)C

InChI

InChI=1S/C17H27O7PS/c1-14(2)6-3-4-13-24-16-11-9-15(10-12-16)7-5-8-17(25(18,19)20)26(21,22)23/h6,9-12,17H,3-5,7-8,13H2,1-2H3,(H2,18,19,20)(H,21,22,23)