calcium [(E)-4-[(E)-prop-1-enyl]henicos-2-en-4-yl]benzene

Systemtic Name: calcium [(E)-4-[(E)-prop-1-enyl]henicos-2-en-4-yl]benzene Openeye Name: calcium 1,1-bis[(E)-prop-1-enyl]octadecylbenzene CAS Name: calcium [(E)-4-[(E)-prop-1-enyl]heneicos-2-en-4-yl]benzene IUPAC Name: calcium [(E)-4-[(E)-prop-1-enyl]henicos-2-en-4-yl]benzene Traditional Name: calcium [(E)-1-heptadecyl-1-[(E)-prop-1-enyl]but-2-enyl]benzene Formula: C30H50Ca+2 MolecularWeight: 450.796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C=CC)(C=CC)C1=CC=CC=C1.[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C1=CC=CC=C1)(/C=C/C)/C=C/C.[Ca+2]

InChI

InChI=1S/C30H50.Ca/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-30(26-5-2,27-6-3)29-24-21-20-22-25-29;/h5-6,20-22,24-27H,4,7-19,23,28H2,1-3H3;/q;+2/b26-5+,27-6+;