[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino] 4-methylbenzenesulfinate

Systemtic Name: [2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino] 4-methylbenzenesulfinate Openeye Name: [2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoylamino] 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid [[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino] ester IUPAC Name: [2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino] 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid [2-(2,4-ditert-amylphenoxy)butanoylamino] ester Formula: C27H39NO4S MolecularWeight: 473.66786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NOS(=O)C1=CC=C(C=C1)C)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C(=O)NOS(=O)C1=CC=C(C=C1)C)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C27H39NO4S/c1-9-23(25(29)28-32-33(30)21-15-12-19(4)13-16-21)31-24-17-14-20(26(5,6)10-2)18-22(24)27(7,8)11-3/h12-18,23H,9-11H2,1-8H3,(H,28,29)