Specification: |
Descriptors Computed from Structure about 12-Methyl-7-Propylbenz(A)Anthracene(CAS NO.16354-54-4) is:
IUPAC Name: 12-methyl-7-propylbenzo[b]phenanthrene
Canonical SMILES: CCCC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C41)C
InChI: InChI=1S/C22H20/c1-3-8-19-20-12-7-6-10-17(20)15(2)22-18-11-5-4-9-16(18)13-14-21(19)22/h4-7,9-14H,3,8H2,1-2H3
InChIKey: YQKGLNLJXKJWSN-UHFFFAOYSA-N
|