2-[6-(phenylmethoxymethyl)-1-(2H-pyran-2-yl)cyclohex-2-en-1-yl]azulene-1-carboxylate

Systemtic Name: 2-[6-(phenylmethoxymethyl)-1-(2H-pyran-2-yl)cyclohex-2-en-1-yl]azulene-1-carboxylate Openeye Name: 2-[6-(benzyloxymethyl)-1-(2H-pyran-2-yl)cyclohex-2-en-1-yl]azulene-1-carboxylate CAS Name: 2-[6-(phenylmethoxymethyl)-1-(2H-pyran-2-yl)-1-cyclohex-2-enyl]-1-azulenecarboxylate IUPAC Name: 2-[6-(phenylmethoxymethyl)-1-(2H-pyran-2-yl)cyclohex-2-en-1-yl]azulene-1-carboxylate Traditional Name: 2-[6-(benzoxymethyl)-1-(2H-pyran-2-yl)cyclohex-2-en-1-yl]azulene-1-carboxylate Formula: C30H27O4- MolecularWeight: 451.53298

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C=C1)(C2C=CC=CO2)C3=CC4=CC=CC=CC4=C3C(=O)[O-])COCC5=CC=CC=C5

Isomeric SMILES

C1CC(C(C=C1)(C2C=CC=CO2)C3=CC4=CC=CC=CC4=C3C(=O)[O-])COCC5=CC=CC=C5

InChI

InChI=1S/C30H28O4/c31-29(32)28-25-15-6-2-5-13-23(25)19-26(28)30(27-16-8-10-18-34-27)17-9-7-14-24(30)21-33-20-22-11-3-1-4-12-22/h1-6,8-13,15-19,24,27H,7,14,20-21H2,(H,31,32)/p-1