dihydrogen borate; 1,2-diphenylbenzene

Systemtic Name: dihydrogen borate; 1,2-diphenylbenzene Openeye Name: dihydrogen borate; 1,2-diphenylbenzene CAS Name: dihydrogen borate; 1,2-diphenylbenzene IUPAC Name: dihydrogen borate; 1,2-diphenylbenzene Traditional Name: dihydrogen borate; 1,2-diphenylbenzene Formula: C72H58BO3- MolecularWeight: 982.04012

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Descriptors Computed from Structure

Canonical SMILES:

B(O)(O)[O-].C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3.C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3.C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3.C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

B(O)(O)[O-].C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3.C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3.C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3.C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/4C18H14.BH2O3/c4*1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16;2-1(3)4/h4*1-14H;2-3H/q;;;;-1