2,6,10,14,19,23,27,31-octamethyldotriacontane hydrate

Systemtic Name: 2,6,10,14,19,23,27,31-octamethyldotriacontane hydrate Openeye Name: 2,6,10,14,19,23,27,31-octamethyldotriacontane hydrate CAS Name: 2,6,10,14,19,23,27,31-octamethyldotriacontane hydrate IUPAC Name: 2,6,10,14,19,23,27,31-octamethyldotriacontane hydrate Traditional Name: 2,6,10,14,19,23,27,31-octamethyldotriacontane hydrate Formula: C80H166O MolecularWeight: 1144.17344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)CCCC(C)C.CC(C)CCCC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)CCCC(C)C.O

Isomeric SMILES

CC(C)CCCC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)CCCC(C)C.CC(C)CCCC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)CCCC(C)C.O

InChI

InChI=1S/2C40H82.H2O/c2*1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4;/h2*33-40H,11-32H2,1-10H3;1H2