fluoranyl-bis(oxidanidyl)borane; 5-methyl-3-prop-2-enyl-1,3-benzothiazol-3-ium

Systemtic Name: fluoranyl-bis(oxidanidyl)borane; 5-methyl-3-prop-2-enyl-1,3-benzothiazol-3-ium Openeye Name: 3-allyl-5-methyl-1,3-benzothiazol-3-ium; fluoro(dioxido)borane CAS Name: fluoro(dioxido)borane; 5-methyl-3-prop-2-enyl-1,3-benzothiazol-3-ium IUPAC Name: fluoro(dioxido)borane; 5-methyl-3-prop-2-enyl-1,3-benzothiazol-3-ium Traditional Name: 3-allyl-5-methyl-1,3-benzothiazol-3-ium; fluoro(dioxido)borane Formula: C88H96B4F4N8O8S8 MolecularWeight: 1769.510253

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Descriptors Computed from Structure

Canonical SMILES:

B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.CC1=CC2=C(C=C1)SC=[N+]2CC=C.CC1=CC2=C(C=C1)SC=[N+]2CC=C.CC1=CC2=C(C=C1)SC=[N+]2CC=C.CC1=CC2=C(C=C1)SC=[N+]2CC=C.CC1=CC2=C(C=C1)SC=[N+]2CC=C.CC1=CC2=C(C=C1)SC=[N+]2CC=C.CC1=CC2=C(C=C1)SC=[N+]2CC=C.CC1=CC2=C(C=C1)SC=[N+]2CC=C

Isomeric SMILES

B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.CC1=CC2=C(C=C1)SC=[N+]2CC=C.CC1=CC2=C(C=C1)SC=[N+]2CC=C.CC1=CC2=C(C=C1)SC=[N+]2CC=C.CC1=CC2=C(C=C1)SC=[N+]2CC=C.CC1=CC2=C(C=C1)SC=[N+]2CC=C.CC1=CC2=C(C=C1)SC=[N+]2CC=C.CC1=CC2=C(C=C1)SC=[N+]2CC=C.CC1=CC2=C(C=C1)SC=[N+]2CC=C

InChI

InChI=1S/8C11H12NS.4BFO2/c8*1-3-6-12-8-13-11-5-4-9(2)7-10(11)12;4*2-1(3)4/h8*3-5,7-8H,1,6H2,2H3;;;;/q8*+1;4*-2