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Details

Stereochemistry ACHIRAL
Molecular Formula C42H18
Molecular Weight 522.5923
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXABENZOCORONENE

SMILES

C1=CC2=C3C=CC=C4C5=CC=CC6=C7C=CC=C8C9=CC=CC%10=C%11C=CC=C%12C(=C1)C2=C%13C(=C%11%12)C(=C9%10)C(=C78)C(=C56)C%13=C34

InChI

InChIKey=IVJZBYVRLJZOOQ-UHFFFAOYSA-N
InChI=1S/C42H18/c1-7-19-21-9-2-11-23-25-13-4-15-27-29-17-6-18-30-28-16-5-14-26-24-12-3-10-22-20(8-1)31(19)37-38(32(21)23)40(34(25)27)42(36(29)30)41(35(26)28)39(37)33(22)24/h1-18H

HIDE SMILES / InChI

Molecular Formula C42H18
Molecular Weight 522.5923
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
8TZ95D8GP4
Record Status Validated (UNII)
Record Version