butane-1,2,3,4-tetrol; 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-3,5-dimethyl-benzoic acid

Systemtic Name: butane-1,2,3,4-tetrol; 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-3,5-dimethyl-benzoic acid Openeye Name: butane-1,2,3,4-tetrol; 4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-3,5-dimethyl-benzoic acid CAS Name: butane-1,2,3,4-tetrol; 4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethoxy]-3,5-dimethylbenzoic acid IUPAC Name: butane-1,2,3,4-tetrol; 4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-3,5-dimethylbenzoic acid Traditional Name: butane-1,2,3,4-tetrol; 4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-3,5-dimethyl-benzoic acid Formula: C100H130O24 MolecularWeight: 1716.0878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C)C(=O)O.CC1=CC(=CC(=C1OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C)C(=O)O.CC1=CC(=CC(=C1OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C)C(=O)O.CC1=CC(=CC(=C1OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C)C(=O)O.C(C(C(CO)O)O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C)C(=O)O.CC1=CC(=CC(=C1OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C)C(=O)O.CC1=CC(=CC(=C1OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C)C(=O)O.CC1=CC(=CC(=C1OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C)C(=O)O.C(C(C(CO)O)O)O

InChI

InChI=1S/4C24H30O5.C4H10O4/c4*1-13-9-15(21(26)27)10-14(2)20(13)29-22(28)16-11-17(23(3,4)5)19(25)18(12-16)24(6,7)8;5-1-3(7)4(8)2-6/h4*9-12,25H,1-8H3,(H,26,27);3-8H,1-2H2