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

Systemtic Name: [2-butoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl] 3-(butoxycarbonylamino)-5-methyl-4-oxidanyl-benzenesulfinate Openeye Name: [2-butoxy-5-(1,1,3,3-tetramethylbutyl)phenyl] 3-(butoxycarbonylamino)-4-hydroxy-5-methyl-benzenesulfinate CAS Name: 3-[[butoxy(oxo)methyl]amino]-4-hydroxy-5-methylbenzenesulfinic 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)-4-hydroxy-5-methylbenzenesulfinate Traditional Name: 3-(butoxycarbonylamino)-4-hydroxy-5-methyl-benzenesulfinic acid [2-butoxy-5-(1,1,3,3-tetramethylbutyl)phenyl] ester Formula: C30H45NO6S MolecularWeight: 547.7464

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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)C)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)C)O)NC(=O)OCCCC

InChI

InChI=1S/C30H45NO6S/c1-9-11-15-35-25-14-13-22(30(7,8)20-29(4,5)6)18-26(25)37-38(34)23-17-21(3)27(32)24(19-23)31-28(33)36-16-12-10-2/h13-14,17-19,32H,9-12,15-16,20H2,1-8H3,(H,31,33)