hydrogen carbonate; [(2E)-octa-2,7-dienyl]-diphenyl-(3-sulfophenyl)phosphanium

Systemtic Name: hydrogen carbonate; [(2E)-octa-2,7-dienyl]-diphenyl-(3-sulfophenyl)phosphanium Openeye Name: hydrogen carbonate; [(2E)-octa-2,7-dienyl]-diphenyl-(3-sulfophenyl)phosphonium CAS Name: hydrogen carbonate; [(2E)-octa-2,7-dienyl]-diphenyl-(3-sulfophenyl)phosphonium IUPAC Name: hydrogen carbonate; [(2E)-octa-2,7-dienyl]-diphenyl-(3-sulfophenyl)phosphanium Traditional Name: [(2E)-octa-2,7-dienyl]-diphenyl-(3-sulfophenyl)phosphonium bicarbonate Formula: C27H29O6PS MolecularWeight: 512.554321

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCC=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)O.C(=O)(O)[O-]

Isomeric SMILES

C=CCCC/C=C/C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)O.C(=O)(O)[O-]

InChI

InChI=1S/C26H27O3PS.CH2O3/c1-2-3-4-5-6-13-21-30(23-15-9-7-10-16-23,24-17-11-8-12-18-24)25-19-14-20-26(22-25)31(27,28)29;2-1(3)4/h2,6-20,22H,1,3-5,21H2;(H2,2,3,4)/b13-6+;