1,2,2,3,3,4-hexakis(decan-3-ylsulfonyl)cyclopentan-1-ol; phosphoric acid

Systemtic Name: 1,2,2,3,3,4-hexakis(decan-3-ylsulfonyl)cyclopentan-1-ol; phosphoric acid Openeye Name: 1,2,2,3,3,4-hexakis(1-ethyloctylsulfonyl)cyclopentanol; phosphoric acid CAS Name: 1,2,2,3,3,4-hexakis(decan-3-ylsulfonyl)-1-cyclopentanol; phosphoric acid IUPAC Name: 1,2,2,3,3,4-hexakis(decan-3-ylsulfonyl)cyclopentan-1-ol; phosphoric acid Traditional Name: 1,2,2,3,3,4-hexakis(1-ethyloctylsulfonyl)cyclopentanol; phosphoric acid Formula: C65H133O17PS6 MolecularWeight: 1410.105081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC)S(=O)(=O)C1CC(C(C1(S(=O)(=O)C(CC)CCCCCCC)S(=O)(=O)C(CC)CCCCCCC)(S(=O)(=O)C(CC)CCCCCCC)S(=O)(=O)C(CC)CCCCCCC)(O)S(=O)(=O)C(CC)CCCCCCC.OP(=O)(O)O

Isomeric SMILES

CCCCCCCC(CC)S(=O)(=O)C1CC(C(C1(S(=O)(=O)C(CC)CCCCCCC)S(=O)(=O)C(CC)CCCCCCC)(S(=O)(=O)C(CC)CCCCCCC)S(=O)(=O)C(CC)CCCCCCC)(O)S(=O)(=O)C(CC)CCCCCCC.OP(=O)(O)O

InChI

InChI=1S/C65H130O13S6.H3O4P/c1-13-25-31-37-43-49-56(19-7)79(67,68)62-55-63(66,80(69,70)57(20-8)50-44-38-32-26-14-2)65(83(75,76)60(23-11)53-47-41-35-29-17-5,84(77,78)61(24-12)54-48-42-36-30-18-6)64(62,81(71,72)58(21-9)51-45-39-33-27-15-3)82(73,74)59(22-10)52-46-40-34-28-16-4;1-5(2,3)4/h56-62,66H,13-55H2,1-12H3;(H3,1,2,3,4)