2-chloroethyl-ethyl-[2-(5-methyl-4-oxidanyl-2-propan-2-yl-phenoxy)ethyl]azanium; 5-sulfonaphthalene-1-sulfonate

Systemtic Name: 2-chloroethyl-ethyl-[2-(5-methyl-4-oxidanyl-2-propan-2-yl-phenoxy)ethyl]azanium; 5-sulfonaphthalene-1-sulfonate Openeye Name: 2-chloroethyl-ethyl-[2-(4-hydroxy-2-isopropyl-5-methyl-phenoxy)ethyl]ammonium; 5-sulfonaphthalene-1-sulfonate CAS Name: 2-chloroethyl-ethyl-[2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl]ammonium; 5-sulfo-1-naphthalenesulfonate IUPAC Name: 2-chloroethyl-ethyl-[2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl]azanium; 5-sulfonaphthalene-1-sulfonate Traditional Name: 2-chloroethyl-ethyl-[2-(4-hydroxy-2-isopropyl-5-methyl-phenoxy)ethyl]ammonium; 5-sulfonaphthalene-1-sulfonate Formula: C26H34ClNO8S2 MolecularWeight: 588.13306

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCOC1=C(C=C(C(=C1)C)O)C(C)C)CCCl.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)O

Isomeric SMILES

CC[NH+](CCOC1=C(C=C(C(=C1)C)O)C(C)C)CCCl.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)O

InChI

InChI=1S/C16H26ClNO2.C10H8O6S2/c1-5-18(7-6-17)8-9-20-16-10-13(4)15(19)11-14(16)12(2)3;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h10-12,19H,5-9H2,1-4H3;1-6H,(H,11,12,13)(H,14,15,16)