[2-butoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl] 3-(butoxycarbonylamino)-5-ethyl-4-oxidanyl-benzenesulfinate

Systemtic Name: [2-butoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl] 3-(butoxycarbonylamino)-5-ethyl-4-oxidanyl-benzenesulfinate Openeye Name: [2-butoxy-5-(1,1,3,3-tetramethylbutyl)phenyl] 3-(butoxycarbonylamino)-5-ethyl-4-hydroxy-benzenesulfinate CAS Name: 3-[[butoxy(oxo)methyl]amino]-5-ethyl-4-hydroxybenzenesulfinic acid [2-butoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl] ester IUPAC Name: [2-butoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl] 3-(butoxycarbonylamino)-5-ethyl-4-hydroxybenzenesulfinate Traditional Name: 3-(butoxycarbonylamino)-5-ethyl-4-hydroxy-benzenesulfinic acid [2-butoxy-5-(1,1,3,3-tetramethylbutyl)phenyl] ester Formula: C31H47NO6S MolecularWeight: 561.77298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)OS(=O)C2=CC(=C(C(=C2)CC)O)NC(=O)OCCCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)OS(=O)C2=CC(=C(C(=C2)CC)O)NC(=O)OCCCC

InChI

InChI=1S/C31H47NO6S/c1-9-12-16-36-26-15-14-23(31(7,8)21-30(4,5)6)19-27(26)38-39(35)24-18-22(11-3)28(33)25(20-24)32-29(34)37-17-13-10-2/h14-15,18-20,33H,9-13,16-17,21H2,1-8H3,(H,32,34)