4-[(3-carboxy-6-methoxy-2-oxidanyl-naphthalen-1-yl)methyl]-7-methoxy-3-oxidanyl-naphthalene-2-carboxylic acid

Systemtic Name: 4-[(3-carboxy-6-methoxy-2-oxidanyl-naphthalen-1-yl)methyl]-7-methoxy-3-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 4-[(3-carboxy-2-hydroxy-6-methoxy-1-naphthyl)methyl]-3-hydroxy-7-methoxy-naphthalene-2-carboxylic acid CAS Name: 4-[(3-carboxy-2-hydroxy-6-methoxy-1-naphthalenyl)methyl]-3-hydroxy-7-methoxy-2-naphthalenecarboxylic acid IUPAC Name: 4-[(3-carboxy-2-hydroxy-6-methoxynaphthalen-1-yl)methyl]-3-hydroxy-7-methoxynaphthalene-2-carboxylic acid Traditional Name: 4-[(3-carboxy-2-hydroxy-6-methoxy-1-naphthyl)methyl]-3-hydroxy-7-methoxy-2-naphthoic acid Formula: C25H20O8 MolecularWeight: 448.4215

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(C(=C2C=C1)CC3=C4C=CC(=CC4=CC(=C3O)C(=O)O)OC)O)C(=O)O

Isomeric SMILES

COC1=CC2=CC(=C(C(=C2C=C1)CC3=C4C=CC(=CC4=CC(=C3O)C(=O)O)OC)O)C(=O)O

InChI

InChI=1S/C25H20O8/c1-32-14-3-5-16-12(7-14)9-20(24(28)29)22(26)18(16)11-19-17-6-4-15(33-2)8-13(17)10-21(23(19)27)25(30)31/h3-10,26-27H,11H2,1-2H3,(H,28,29)(H,30,31)