Analyte Name

Hexa-dodecyl-hexa-peri-hexabenzocoronene

CAS Number

170698-88-1

Molecular Formula

C114H162

Molecular Weight

1532.55

Accurate Mass

1531.27

SMILES

CCCCCCCCCCCCC(C=C12)=CC3=C1C4=C(C5=C6C=C(CCCCCCCCCCCC)C=C53)C(C7=C8C=C(CCCCCCCCCCCC)C=C76)=C(C9=C%10C=C(CCCCCCCCCCCC)C=C98)C%11=C4C%12=C2C=C(CCCCCCCCCCCC)C=C%12C%13=C%11C%10=CC(CCCCCCCCCCCC)=C%13

InChI

InChI=1S/C114H162/c1-7-13-19-25-31-37-43-49-55-61-67-85-73-91-93-75-86(68-62-56-50-44-38-32-26-20-14-8-2)77-95-97-79-88(70-64-58-52-46-40-34-28-22-16-10-4)81-99-101-83-90(72-66-60-54-48-42-36-30-24-18-12-6)84-102-100-82-89(71-65-59-53-47-41-35-29-23-17-11-5)80-98-96-78-87(69-63-57-51-45-39-33-27-21-15-9-3)76-94-92(74-85)103(91)109-110(104(93)95)112(106(97)99)114(108(101)102)113(107(98)100)111(109)105(94)96/h73-84H,7-72H2,1-6H3

IUPAC

2,5,8,11,14,17-hexadodecylhexabenzo[bc,ef,hi,kl,no,qr]coronene

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat