6-(1-oxacycloundec-5-yl)naphthalene-2,3-diol; 2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 6-(1-oxacycloundec-5-yl)naphthalene-2,3-diol; 2-oxidanyl-3-propyl-benzoic acid Openeye Name: 2-hydroxy-3-propyl-benzoic acid; 6-(oxacycloundec-5-yl)naphthalene-2,3-diol CAS Name: 2-hydroxy-3-propylbenzoic acid; 6-(oxacycloundec-5-yl)naphthalene-2,3-diol IUPAC Name: 2-hydroxy-3-propylbenzoic acid; 6-(oxacycloundec-5-yl)naphthalene-2,3-diol Traditional Name: 2-hydroxy-3-propyl-benzoic acid; 6-(oxacycloundec-5-yl)naphthalene-2,3-diol Formula: C30H38O6 MolecularWeight: 494.61912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1O)C(=O)O.C1CCCOCCCC(CC1)C2=CC3=CC(=C(C=C3C=C2)O)O

Isomeric SMILES

CCCC1=CC=CC(=C1O)C(=O)O.C1CCCOCCCC(CC1)C2=CC3=CC(=C(C=C3C=C2)O)O

InChI

InChI=1S/C20H26O3.C10H12O3/c21-19-13-17-9-8-16(12-18(17)14-20(19)22)15-6-3-1-2-4-10-23-11-5-7-15;1-2-4-7-5-3-6-8(9(7)11)10(12)13/h8-9,12-15,21-22H,1-7,10-11H2;3,5-6,11H,2,4H2,1H3,(H,12,13)