calcium pentadecylbenzene

Systemtic Name: calcium pentadecylbenzene Openeye Name: calcium pentadecylbenzene CAS Name: calcium pentadecylbenzene IUPAC Name: calcium pentadecylbenzene Traditional Name: calcium pentadecylbenzene Formula: C21H36Ca+2 MolecularWeight: 328.58854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC=CC=C1.[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC=CC=C1.[Ca+2]

InChI

InChI=1S/C21H36.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21;/h14,16-17,19-20H,2-13,15,18H2,1H3;/q;+2