methylbenzene; pyrene

Systemtic Name: methylbenzene; pyrene Openeye Name: pyrene; toluene CAS Name: pyrene; toluene IUPAC Name: pyrene; toluene Traditional Name: pyrene; toluene Formula: C23H18 MolecularWeight: 294.38902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2

Isomeric SMILES

CC1=CC=CC=C1.C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2

InChI

InChI=1S/C16H10.C7H8/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-7-5-3-2-4-6-7/h1-10H;2-6H,1H3