disodium [(2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] phosphate

Systemtic Name: disodium [(2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] phosphate Openeye Name: disodium [(2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl] phosphate CAS Name: disodium [(2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl] phosphate IUPAC Name: disodium [(2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] phosphate Traditional Name: disodium [(2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl] phosphate Formula: C28H47Na2O5P MolecularWeight: 540.623081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=C2CC[C@@](OC2=C1C)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C28H49O5P.2Na/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(33-34(29,30)31)23(5)24(6)27(25)32-28;;/h19-22H,8-18H2,1-7H3,(H2,29,30,31);;/q;2*+1/p-2/t21-,22-,28-;;/m1../s1