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

Systemtic Name: sodium [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] hydrogen phosphate Openeye Name: sodium [2-methyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] hydrogen phosphate CAS Name: sodium [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl] hydrogen phosphate IUPAC Name: sodium [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] hydrogen phosphate Traditional Name: sodium [2-methyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] hydrogen phosphate Formula: C26H44NaO5P MolecularWeight: 490.588091

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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)[O-])C.[Na+]

Isomeric SMILES

CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)OP(=O)(O)[O-])C.[Na+]

InChI

InChI=1S/C26H45O5P.Na/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(31-32(27,28)29)14-15-25(23)30-26;/h14-15,19-22H,6-13,16-18H2,1-5H3,(H2,27,28,29);/q;+1/p-1