4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoylamino]benzenesulfonic acid

Systemtic Name: 4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoylamino]benzenesulfonic acid Openeye Name: 4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoylamino]benzenesulfonic acid CAS Name: 4-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropyl]amino]benzenesulfonic acid IUPAC Name: 4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]benzenesulfonic acid Traditional Name: 4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoylamino]besylic acid Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C23H31NO5S/c1-22(2,3)18-13-15(14-19(21(18)26)23(4,5)6)7-12-20(25)24-16-8-10-17(11-9-16)30(27,28)29/h8-11,13-14,26H,7,12H2,1-6H3,(H,24,25)(H,27,28,29)