4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butane-1-sulfinate

Systemtic Name: 4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butane-1-sulfinate Openeye Name: 4-[4-(1,1,3,3-tetramethylbutyl)phenoxy]butane-1-sulfinate CAS Name: 4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1-butanesulfinate IUPAC Name: 4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butane-1-sulfinate Traditional Name: 4-[4-(1,1,3,3-tetramethylbutyl)phenoxy]butane-1-sulfinate Formula: C18H29O3S- MolecularWeight: 325.48606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCCCS(=O)[O-]

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCCCS(=O)[O-]

InChI

InChI=1S/C18H30O3S/c1-17(2,3)14-18(4,5)15-8-10-16(11-9-15)21-12-6-7-13-22(19)20/h8-11H,6-7,12-14H2,1-5H3,(H,19,20)/p-1