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

Systemtic Name: 7-butyl-1-[(7-butyl-2-carboxy-3-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 7-butyl-1-[(7-butyl-2-carboxy-3-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid CAS Name: 7-butyl-1-[(7-butyl-2-carboxy-3-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid IUPAC Name: 7-butyl-1-[(7-butyl-2-carboxy-3-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid Traditional Name: 7-butyl-1-[(7-butyl-2-carboxy-3-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=C(C(=C(C=C2C=C1)O)C(=O)O)CC3=C4C=C(C=CC4=CC(=C3C(=O)O)O)CCCC

Isomeric SMILES

CCCCC1=CC2=C(C(=C(C=C2C=C1)O)C(=O)O)CC3=C4C=C(C=CC4=CC(=C3C(=O)O)O)CCCC

InChI

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