3,4-dihydroisothiochromen-1-ylideneoxidanium borate

Systemtic Name: 3,4-dihydroisothiochromen-1-ylideneoxidanium borate Openeye Name: isothiochroman-1-ylideneoxonium borate CAS Name: 3,4-dihydro-2-benzothiopyran-1-ylideneoxonium borate IUPAC Name: 3,4-dihydroisothiochromen-1-ylideneoxidanium borate Traditional Name: isothiochroman-1-ylideneoxonium borate Formula: C27H27BO6S3 MolecularWeight: 554.50568

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Descriptors Computed from Structure

Canonical SMILES:

B([O-])([O-])[O-].C1CSC(=[OH+])C2=CC=CC=C21.C1CSC(=[OH+])C2=CC=CC=C21.C1CSC(=[OH+])C2=CC=CC=C21

Isomeric SMILES

B([O-])([O-])[O-].C1CSC(=[OH+])C2=CC=CC=C21.C1CSC(=[OH+])C2=CC=CC=C21.C1CSC(=[OH+])C2=CC=CC=C21

InChI

InChI=1S/3C9H8OS.BO3/c3*10-9-8-4-2-1-3-7(8)5-6-11-9;2-1(3)4/h3*1-4H,5-6H2;/q;;;-3/p+3