4-(4-tert-butylphenoxy)oct-6-yn-3-yl hydrogen sulfite

Systemtic Name: 4-(4-tert-butylphenoxy)oct-6-yn-3-yl hydrogen sulfite Openeye Name: [2-(4-tert-butylphenoxy)-1-ethyl-hex-4-ynyl] hydrogen sulfite CAS Name: sulfurous acid 4-(4-tert-butylphenoxy)oct-6-yn-3-yl ester IUPAC Name: 4-(4-tert-butylphenoxy)oct-6-yn-3-yl hydrogen sulfite Traditional Name: sulfurous acid [2-(4-tert-butylphenoxy)-1-ethyl-hex-4-ynyl] ester Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC#CC)OC1=CC=C(C=C1)C(C)(C)C)OS(=O)O

Isomeric SMILES

CCC(C(CC#CC)OC1=CC=C(C=C1)C(C)(C)C)OS(=O)O

InChI

InChI=1S/C18H26O4S/c1-6-8-9-17(16(7-2)22-23(19)20)21-15-12-10-14(11-13-15)18(3,4)5/h10-13,16-17H,7,9H2,1-5H3,(H,19,20)