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

Systemtic Name: 7-butyl-4-[(6-butyl-3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 7-butyl-4-[(6-butyl-3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid CAS Name: 7-butyl-4-[(6-butyl-3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid IUPAC Name: 7-butyl-4-[(6-butyl-3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid Traditional Name: 7-butyl-4-[(6-butyl-3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid Formula: C31H32O6 MolecularWeight: 500.58218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=C(C(=C2C=C1)CC3=C4C=CC(=CC4=CC(=C3O)C(=O)O)CCCC)O)C(=O)O

Isomeric SMILES

CCCCC1=CC2=CC(=C(C(=C2C=C1)CC3=C4C=CC(=CC4=CC(=C3O)C(=O)O)CCCC)O)C(=O)O

InChI

InChI=1S/C31H32O6/c1-3-5-7-18-9-11-22-20(13-18)15-26(30(34)35)28(32)24(22)17-25-23-12-10-19(8-6-4-2)14-21(23)16-27(29(25)33)31(36)37/h9-16,32-33H,3-8,17H2,1-2H3,(H,34,35)(H,36,37)