diethyl 4-tert-butyl-2-chloranyl-azulene-1,3-dicarboxylate

Systemtic Name: diethyl 4-tert-butyl-2-chloranyl-azulene-1,3-dicarboxylate Openeye Name: diethyl 4-tert-butyl-2-chloro-azulene-1,3-dicarboxylate CAS Name: 4-tert-butyl-2-chloroazulene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-tert-butyl-2-chloroazulene-1,3-dicarboxylate Traditional Name: 4-tert-butyl-2-chloro-azulene-1,3-dicarboxylic acid diethyl ester Formula: C20H23ClO4 MolecularWeight: 362.84722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2C1=CC=CC=C2C(C)(C)C)C(=O)OCC)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C2C1=CC=CC=C2C(C)(C)C)C(=O)OCC)Cl

InChI

InChI=1S/C20H23ClO4/c1-6-24-18(22)15-12-10-8-9-11-13(20(3,4)5)14(12)16(17(15)21)19(23)25-7-2/h8-11H,6-7H2,1-5H3