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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O4S/c1-6-8-14-18(13-7-2,22-23(19)20)21-16-11-9-15(10-12-16)17(3,4)5/h9-12H,7,13-14H2,1-5H3,(H,19,20)