[5-[2,4-bis(2-methylbutan-2-yl)phenoxy]pentanoylamino] 4-methylbenzenesulfinate

Systemtic Name: [5-[2,4-bis(2-methylbutan-2-yl)phenoxy]pentanoylamino] 4-methylbenzenesulfinate Openeye Name: [5-[2,4-bis(1,1-dimethylpropyl)phenoxy]pentanoylamino] 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid [[5-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxopentyl]amino] ester IUPAC Name: [5-[2,4-bis(2-methylbutan-2-yl)phenoxy]pentanoylamino] 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid [5-(2,4-ditert-amylphenoxy)pentanoylamino] ester Formula: C28H41NO4S MolecularWeight: 487.69444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41NO4S/c1-8-27(4,5)22-15-18-25(24(20-22)28(6,7)9-2)32-19-11-10-12-26(30)29-33-34(31)23-16-13-21(3)14-17-23/h13-18,20H,8-12,19H2,1-7H3,(H,29,30)