8-(2,2-dimethyl-3-oxidanyl-propoxy)-6-(2-hydroxyethyloxy)benzo[b]azulene-5,10-dione

Systemtic Name: 8-(2,2-dimethyl-3-oxidanyl-propoxy)-6-(2-hydroxyethyloxy)benzo[b]azulene-5,10-dione Openeye Name: 8-(3-hydroxy-2,2-dimethyl-propoxy)-6-(2-hydroxyethoxy)benzo[b]azulene-5,10-dione CAS Name: 8-(3-hydroxy-2,2-dimethylpropoxy)-6-(2-hydroxyethoxy)benzo[b]azulene-5,10-dione IUPAC Name: 8-(3-hydroxy-2,2-dimethylpropoxy)-6-(2-hydroxyethoxy)benzo[b]azulene-5,10-dione Traditional Name: 8-(3-hydroxy-2,2-dimethyl-propoxy)-6-(2-hydroxyethoxy)benz[b]azulene-5,10-quinone Formula: C21H22O6 MolecularWeight: 370.39578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)COC1=CC2=C(C3=CC=CC=C3C2=O)C(=O)C(=C1)OCCO

Isomeric SMILES

CC(C)(CO)COC1=CC2=C(C3=CC=CC=C3C2=O)C(=O)C(=C1)OCCO

InChI

InChI=1S/C21H22O6/c1-21(2,11-23)12-27-13-9-16-18(20(25)17(10-13)26-8-7-22)14-5-3-4-6-15(14)19(16)24/h3-6,9-10,22-23H,7-8,11-12H2,1-2H3