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

Systemtic Name: bis[2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] hydrogen phosphate Openeye Name: bis[2,8-dimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] hydrogen phosphate CAS Name: bis[2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl] hydrogen phosphate IUPAC Name: bis[2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] hydrogen phosphate Traditional Name: bis[2,8-dimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] hydrogen phosphate Formula: C54H91O6P MolecularWeight: 867.270501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)OP(=O)(O)OC3=CC(=C4C(=C3)CCC(O4)(C)CCCC(C)CCCC(C)CCCC(C)C)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C

Isomeric SMILES

CC1=C2C(=CC(=C1)OP(=O)(O)OC3=CC(=C4C(=C3)CCC(O4)(C)CCCC(C)CCCC(C)CCCC(C)C)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C

InChI

InChI=1S/C54H91O6P/c1-39(2)19-13-21-41(5)23-15-25-43(7)27-17-31-53(11)33-29-47-37-49(35-45(9)51(47)57-53)59-61(55,56)60-50-36-46(10)52-48(38-50)30-34-54(12,58-52)32-18-28-44(8)26-16-24-42(6)22-14-20-40(3)4/h35-44H,13-34H2,1-12H3,(H,55,56)