calcium 1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylate

Systemtic Name: calcium 1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylate Openeye Name: calcium 1,2,2-trimethyl-3-styryl-cyclopentanecarboxylate CAS Name: calcium 1,2,2-trimethyl-3-(2-phenylethenyl)-1-cyclopentanecarboxylate IUPAC Name: calcium 1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylate Traditional Name: calcium 1,2,2-trimethyl-3-styryl-cyclopentanecarboxylate Formula: C34H42CaO4 MolecularWeight: 554.77288

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)[O-])C=CC2=CC=CC=C2)C.CC1(C(CCC1(C)C(=O)[O-])C=CC2=CC=CC=C2)C.[Ca+2]

Isomeric SMILES

CC1(C(CCC1(C)C(=O)[O-])C=CC2=CC=CC=C2)C.CC1(C(CCC1(C)C(=O)[O-])C=CC2=CC=CC=C2)C.[Ca+2]

InChI

InChI=1S/2C17H22O2.Ca/c2*1-16(2)14(11-12-17(16,3)15(18)19)10-9-13-7-5-4-6-8-13;/h2*4-10,14H,11-12H2,1-3H3,(H,18,19);/q;;+2/p-2