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

Systemtic Name: 4-[(3-carboxy-2-oxidanyl-6-propyl-naphthalen-1-yl)methyl]-3-oxidanyl-7-propyl-naphthalene-2-carboxylic acid Openeye Name: 4-[(3-carboxy-2-hydroxy-6-propyl-1-naphthyl)methyl]-3-hydroxy-7-propyl-naphthalene-2-carboxylic acid CAS Name: 4-[(3-carboxy-2-hydroxy-6-propyl-1-naphthalenyl)methyl]-3-hydroxy-7-propyl-2-naphthalenecarboxylic acid IUPAC Name: 4-[(3-carboxy-2-hydroxy-6-propylnaphthalen-1-yl)methyl]-3-hydroxy-7-propylnaphthalene-2-carboxylic acid Traditional Name: 4-[(3-carboxy-2-hydroxy-6-propyl-1-naphthyl)methyl]-3-hydroxy-7-propyl-2-naphthoic acid Formula: C29H28O6 MolecularWeight: 472.52902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=CC(=C(C(=C2C=C1)CC3=C4C=CC(=CC4=CC(=C3O)C(=O)O)CCC)O)C(=O)O

Isomeric SMILES

CCCC1=CC2=CC(=C(C(=C2C=C1)CC3=C4C=CC(=CC4=CC(=C3O)C(=O)O)CCC)O)C(=O)O

InChI

InChI=1S/C29H28O6/c1-3-5-16-7-9-20-18(11-16)13-24(28(32)33)26(30)22(20)15-23-21-10-8-17(6-4-2)12-19(21)14-25(27(23)31)29(34)35/h7-14,30-31H,3-6,15H2,1-2H3,(H,32,33)(H,34,35)