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Details

Stereochemistry ACHIRAL
Molecular Formula C48H24
Molecular Weight 600.7042
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXABENZO(A,D,G,J,M,P)CORONENE

SMILES

C1=CC=C2C(=C1)C3=C4C5=C2C6=CC=CC=C6C7=C5C8=C(C9=CC=CC=C9C%10=C8C4=C(C%11=CC=CC=C3%11)C%12=C%10C=CC=C%12)C%13=C7C=CC=C%13

InChI

InChIKey=XHJPOZDMDBETDO-UHFFFAOYSA-N
InChI=1S/C48H24/c1-2-14-26-25(13-1)37-27-15-3-4-16-28(27)39-31-19-7-8-20-32(31)41-34-22-10-12-24-36(34)42-35-23-11-9-21-33(35)40-30-18-6-5-17-29(30)38(26)44-43(37)45(39)47(41)48(42)46(40)44/h1-24H

HIDE SMILES / InChI

Molecular Formula C48H24
Molecular Weight 600.7042
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
7M3LAB7SKL
Record Status Validated (UNII)
Record Version