2-[(Z)-(3-bromanyl-5-methyl-4-oxidaniumylidene-cyclohexa-2,5-dien-1-ylidene)-(3-bromanyl-5-methyl-4-phosphonooxy-phenyl)methyl]benzenesulfonate

Systemtic Name: 2-[(Z)-(3-bromanyl-5-methyl-4-oxidaniumylidene-cyclohexa-2,5-dien-1-ylidene)-(3-bromanyl-5-methyl-4-phosphonooxy-phenyl)methyl]benzenesulfonate Openeye Name: 2-[(Z)-(3-bromo-5-methyl-4-oxoniumylidene-cyclohexa-2,5-dien-1-ylidene)-(3-bromo-5-methyl-4-phosphonooxy-phenyl)methyl]benzenesulfonate CAS Name: 2-[(Z)-(3-bromo-5-methyl-4-oxoniumylidene-1-cyclohexa-2,5-dienylidene)-(3-bromo-5-methyl-4-phosphonooxyphenyl)methyl]benzenesulfonate IUPAC Name: 2-[(Z)-(3-bromo-5-methyl-4-oxoniumylidenecyclohexa-2,5-dien-1-ylidene)-(3-bromo-5-methyl-4-phosphonooxyphenyl)methyl]benzenesulfonate Traditional Name: 2-[(Z)-(3-bromo-5-methyl-4-oxoniumylidene-cyclohexa-2,5-dien-1-ylidene)-(3-bromo-5-methyl-4-phosphonooxy-phenyl)methyl]besylate Formula: C21H17Br2O8PS MolecularWeight: 620.201641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=CC=CC=C2S(=O)(=O)[O-])C3=CC(=C(C(=C3)Br)OP(=O)(O)O)C)C=C(C1=[OH+])Br

Isomeric SMILES

CC1=C/C(=C(/C2=CC=CC=C2S(=O)(=O)[O-])\C3=CC(=C(C(=C3)Br)OP(=O)(O)O)C)/C=C(C1=[OH+])Br

InChI

InChI=1S/C21H17Br2O8PS/c1-11-7-13(9-16(22)20(11)24)19(15-5-3-4-6-18(15)33(28,29)30)14-8-12(2)21(17(23)10-14)31-32(25,26)27/h3-10H,1-2H3,(H2,25,26,27)(H,28,29,30)/b19-13-