(E,3S)-8-[4-[(Z)-[4-(dioxidanyl)-3-methoxy-5-methyl-6-oxidanyl-1H-pyrazin-4-ium-2-ylidene]methyl]phenoxy]-2,6-dimethyl-oct-6-ene-2,3-diol

Systemtic Name: (E,3S)-8-[4-[(Z)-[4-(dioxidanyl)-3-methoxy-5-methyl-6-oxidanyl-1H-pyrazin-4-ium-2-ylidene]methyl]phenoxy]-2,6-dimethyl-oct-6-ene-2,3-diol Openeye Name: (E,3S)-8-[4-[(Z)-(4-hydroperoxy-6-hydroxy-3-methoxy-5-methyl-1H-pyrazin-4-ium-2-ylidene)methyl]phenoxy]-2,6-dimethyl-oct-6-ene-2,3-diol CAS Name: (E,3S)-8-[4-[(Z)-(4-hydroperoxy-6-hydroxy-3-methoxy-5-methyl-1H-pyrazin-4-ium-2-ylidene)methyl]phenoxy]-2,6-dimethyl-6-octene-2,3-diol IUPAC Name: (E,3S)-8-[4-[(Z)-(4-hydroperoxy-6-hydroxy-3-methoxy-5-methyl-1H-pyrazin-4-ium-2-ylidene)methyl]phenoxy]-2,6-dimethyloct-6-ene-2,3-diol Traditional Name: (E,3S)-8-[4-[(Z)-(4-hydroperoxy-6-hydroxy-3-methoxy-5-methyl-1H-pyrazin-4-ium-2-ylidene)methyl]phenoxy]-2,6-dimethyl-oct-6-ene-2,3-diol Formula: C23H33N2O7+ MolecularWeight: 449.51732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=CC2=CC=C(C=C2)OCC=C(C)CCC(C(C)(C)O)O)C(=[N+]1OO)OC)O

Isomeric SMILES

CC1=C(N/C(=C\C2=CC=C(C=C2)OC/C=C(\C)/CC[C@@H](C(C)(C)O)O)/C(=[N+]1OO)OC)O

InChI

InChI=1S/C23H32N2O7/c1-15(6-11-20(26)23(3,4)28)12-13-31-18-9-7-17(8-10-18)14-19-22(30-5)25(32-29)16(2)21(27)24-19/h7-10,12,14,20,24,26,28H,6,11,13H2,1-5H3,(H-,27,29)/p+1/b15-12+,19-14-/t20-/m0/s1