benzo[a]anthracen-1-yloxy-bis(oxidanidyl)borane; 1,2,3,4,5,6-hexakis-decylpyridin-1-ium

Systemtic Name: benzo[a]anthracen-1-yloxy-bis(oxidanidyl)borane; 1,2,3,4,5,6-hexakis-decylpyridin-1-ium Openeye Name: benzo[a]anthracen-1-yloxy(dioxido)borane; 1,2,3,4,5,6-hexakis-decylpyridin-1-ium CAS Name: 1-benzo[a]anthracenyloxy(dioxido)borane; 1,2,3,4,5,6-hexakis-decylpyridin-1-ium IUPAC Name: benzo[a]anthracen-1-yloxy(dioxido)borane; 1,2,3,4,5,6-hexakis-decylpyridin-1-ium Traditional Name: benz[a]anthracen-1-yloxy(dioxido)borane; 1,2,3,4,5,6-hexakis-decylpyridin-1-ium Formula: C83H137BNO3- MolecularWeight: 1207.79178

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Descriptors Computed from Structure

Canonical SMILES:

B([O-])([O-])OC1=CC=CC2=C1C3=CC4=CC=CC=C4C=C3C=C2.CCCCCCCCCCC1=C(C(=[N+](C(=C1CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC

Isomeric SMILES

B([O-])([O-])OC1=CC=CC2=C1C3=CC4=CC=CC=C4C=C3C=C2.CCCCCCCCCCC1=C(C(=[N+](C(=C1CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC

InChI

InChI=1S/C65H126N.C18H11BO3/c1-7-13-19-25-31-37-43-49-55-61-62(56-50-44-38-32-26-20-14-8-2)64(58-52-46-40-34-28-22-16-10-4)66(60-54-48-42-36-30-24-18-12-6)65(59-53-47-41-35-29-23-17-11-5)63(61)57-51-45-39-33-27-21-15-9-3;20-19(21)22-17-7-3-6-12-8-9-15-10-13-4-1-2-5-14(13)11-16(15)18(12)17/h7-60H2,1-6H3;1-11H/q+1;-2