dimethyl 3-phenyl-3H-azulene-3a,4-dicarboxylate

Systemtic Name: dimethyl 3-phenyl-3H-azulene-3a,4-dicarboxylate Openeye Name: dimethyl 3-phenyl-3H-azulene-3a,4-dicarboxylate CAS Name: 3-phenyl-3H-azulene-3a,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-phenyl-3H-azulene-3a,4-dicarboxylate Traditional Name: 3-phenyl-3H-azulene-3a,4-dicarboxylic acid dimethyl ester Formula: C20H18O4 MolecularWeight: 322.35452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C2C1(C(C=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=CC=C2C1(C(C=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H18O4/c1-23-18(21)17-11-7-6-10-15-12-13-16(14-8-4-3-5-9-14)20(15,17)19(22)24-2/h3-13,16H,1-2H3