3-chloranyl-2-methoxy-5-oxidanyl-6-(1-oxidanylbutyl)-7-prop-1-ynyl-naphthalene-1,4-dione

Systemtic Name: 3-chloranyl-2-methoxy-5-oxidanyl-6-(1-oxidanylbutyl)-7-prop-1-ynyl-naphthalene-1,4-dione Openeye Name: 3-chloro-5-hydroxy-6-(1-hydroxybutyl)-2-methoxy-7-prop-1-ynyl-naphthalene-1,4-dione CAS Name: 3-chloro-5-hydroxy-6-(1-hydroxybutyl)-2-methoxy-7-prop-1-ynylnaphthalene-1,4-dione IUPAC Name: 3-chloro-5-hydroxy-6-(1-hydroxybutyl)-2-methoxy-7-prop-1-ynylnaphthalene-1,4-dione Traditional Name: 3-chloro-5-hydroxy-6-(1-hydroxybutyl)-2-methoxy-7-prop-1-ynyl-1,4-naphthoquinone Formula: C18H17ClO5 MolecularWeight: 348.77758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C2=C(C=C1C#CC)C(=O)C(=C(C2=O)Cl)OC)O)O

Isomeric SMILES

CCCC(C1=C(C2=C(C=C1C#CC)C(=O)C(=C(C2=O)Cl)OC)O)O

InChI

InChI=1S/C18H17ClO5/c1-4-6-9-8-10-13(16(22)12(9)11(20)7-5-2)17(23)14(19)18(24-3)15(10)21/h8,11,20,22H,5,7H2,1-3H3