2,2,3,3,4-pentakis(5-methyl-2-propan-2-yl-cyclohexyl)-4H-chromene-6-sulfinic acid

Systemtic Name: 2,2,3,3,4-pentakis(5-methyl-2-propan-2-yl-cyclohexyl)-4H-chromene-6-sulfinic acid Openeye Name: 2,2,3,3,4-pentakis(2-isopropyl-5-methyl-cyclohexyl)chromane-6-sulfinic acid CAS Name: 2,2,3,3,4-pentakis(5-methyl-2-propan-2-ylcyclohexyl)-3,4-dihydro-2H-1-benzopyran-6-sulfinic acid IUPAC Name: 2,2,3,3,4-pentakis(5-methyl-2-propan-2-ylcyclohexyl)-4H-chromene-6-sulfinic acid Traditional Name: 2,2,3,3,4-pentakis(2-isopropyl-5-methyl-cyclohexyl)chroman-6-sulfinic acid Formula: C59H100O3S MolecularWeight: 889.4885

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C2C3=C(C=CC(=C3)S(=O)O)OC(C2(C4CC(CCC4C(C)C)C)C5CC(CCC5C(C)C)C)(C6CC(CCC6C(C)C)C)C7CC(CCC7C(C)C)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)C2C3=C(C=CC(=C3)S(=O)O)OC(C2(C4CC(CCC4C(C)C)C)C5CC(CCC5C(C)C)C)(C6CC(CCC6C(C)C)C)C7CC(CCC7C(C)C)C)C(C)C

InChI

InChI=1S/C59H100O3S/c1-34(2)45-22-16-39(11)28-50(45)57-51-33-44(63(60)61)21-27-56(51)62-59(54-31-42(14)19-25-48(54)37(7)8,55-32-43(15)20-26-49(55)38(9)10)58(57,52-29-40(12)17-23-46(52)35(3)4)53-30-41(13)18-24-47(53)36(5)6/h21,27,33-43,45-50,52-55,57H,16-20,22-26,28-32H2,1-15H3,(H,60,61)