bis[2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] hydrogen phosphate

Systemtic Name: bis[2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] hydrogen phosphate Openeye Name: bis[2-methyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] hydrogen phosphate CAS Name: bis[2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl] hydrogen phosphate IUPAC Name: bis[2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] hydrogen phosphate Traditional Name: bis[2-methyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] hydrogen phosphate Formula: C52H87O6P MolecularWeight: 839.217341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)OP(=O)(O)OC3=CC4=C(C=C3)OC(CC4)(C)CCCC(C)CCCC(C)CCCC(C)C)C

Isomeric SMILES

CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)OP(=O)(O)OC3=CC4=C(C=C3)OC(CC4)(C)CCCC(C)CCCC(C)CCCC(C)C)C

InChI

InChI=1S/C52H87O6P/c1-39(2)17-11-19-41(5)21-13-23-43(7)25-15-33-51(9)35-31-45-37-47(27-29-49(45)55-51)57-59(53,54)58-48-28-30-50-46(38-48)32-36-52(10,56-50)34-16-26-44(8)24-14-22-42(6)20-12-18-40(3)4/h27-30,37-44H,11-26,31-36H2,1-10H3,(H,53,54)