sodium [(1E,7E,9E,11E)-3-methyl-3,6-bis(oxidanyl)-1-(6-oxidanylidene-2,3-dihydropyran-2-yl)trideca-1,7,9,11-tetraen-4-yl] hydrogen phosphate

Systemtic Name: sodium [(1E,7E,9E,11E)-3-methyl-3,6-bis(oxidanyl)-1-(6-oxidanylidene-2,3-dihydropyran-2-yl)trideca-1,7,9,11-tetraen-4-yl] hydrogen phosphate Openeye Name: sodium [(4E,6E,8E)-3-hydroxy-1-[(E)-1-hydroxy-1-methyl-3-(6-oxo-2,3-dihydropyran-2-yl)allyl]deca-4,6,8-trienyl] hydrogen phosphate CAS Name: sodium [(1E,7E,9E,11E)-3,6-dihydroxy-3-methyl-1-(6-oxo-2,3-dihydropyran-2-yl)trideca-1,7,9,11-tetraen-4-yl] hydrogen phosphate IUPAC Name: sodium [(1E,7E,9E,11E)-3,6-dihydroxy-3-methyl-1-(6-oxo-2,3-dihydropyran-2-yl)trideca-1,7,9,11-tetraen-4-yl] hydrogen phosphate Traditional Name: sodium [(4E,6E,8E)-3-hydroxy-1-[(E)-1-hydroxy-3-(6-keto-2,3-dihydropyran-2-yl)-1-methyl-allyl]deca-4,6,8-trienyl] hydrogen phosphate Formula: C19H26NaO8P MolecularWeight: 436.368471

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC=CC(CC(C(C)(C=CC1CC=CC(=O)O1)O)OP(=O)(O)[O-])O.[Na+]

Isomeric SMILES

C/C=C/C=C/C=C/C(CC(C(C)(/C=C/C1CC=CC(=O)O1)O)OP(=O)(O)[O-])O.[Na+]

InChI

InChI=1S/C19H27O8P.Na/c1-3-4-5-6-7-9-15(20)14-17(27-28(23,24)25)19(2,22)13-12-16-10-8-11-18(21)26-16;/h3-9,11-13,15-17,20,22H,10,14H2,1-2H3,(H2,23,24,25);/q;+1/p-1/b4-3+,6-5+,9-7+,13-12+;