[6-[(1E,3E,5E,7E)-8-(3-bromanyl-1H-pyrrol-2-yl)octa-1,3,5,7-tetraenyl]-3-methyl-2-oxidanylidene-pyran-4-yl] hydrogen sulfate

Systemtic Name: [6-[(1E,3E,5E,7E)-8-(3-bromanyl-1H-pyrrol-2-yl)octa-1,3,5,7-tetraenyl]-3-methyl-2-oxidanylidene-pyran-4-yl] hydrogen sulfate Openeye Name: [6-[(1E,3E,5E,7E)-8-(3-bromo-1H-pyrrol-2-yl)octa-1,3,5,7-tetraenyl]-3-methyl-2-oxo-pyran-4-yl] hydrogen sulfate CAS Name: sulfuric acid [6-[(1E,3E,5E,7E)-8-(3-bromo-1H-pyrrol-2-yl)octa-1,3,5,7-tetraenyl]-3-methyl-2-oxo-4-pyranyl] ester IUPAC Name: [6-[(1E,3E,5E,7E)-8-(3-bromo-1H-pyrrol-2-yl)octa-1,3,5,7-tetraenyl]-3-methyl-2-oxopyran-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [6-[(1E,3E,5E,7E)-8-(3-bromo-1H-pyrrol-2-yl)octa-1,3,5,7-tetraenyl]-2-keto-3-methyl-pyran-4-yl] ester Formula: C18H16BrNO6S MolecularWeight: 454.29174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(OC1=O)C=CC=CC=CC=CC2=C(C=CN2)Br)OS(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(OC1=O)/C=C/C=C/C=C/C=C/C2=C(C=CN2)Br)OS(=O)(=O)O

InChI

InChI=1S/C18H16BrNO6S/c1-13-17(26-27(22,23)24)12-14(25-18(13)21)8-6-4-2-3-5-7-9-16-15(19)10-11-20-16/h2-12,20H,1H3,(H,22,23,24)/b4-2+,5-3+,8-6+,9-7+