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

Systemtic Name: 4-[(3-carboxy-6-ethyl-2-oxidanyl-naphthalen-1-yl)methyl]-7-ethyl-3-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 4-[(3-carboxy-6-ethyl-2-hydroxy-1-naphthyl)methyl]-7-ethyl-3-hydroxy-naphthalene-2-carboxylic acid CAS Name: 4-[(3-carboxy-6-ethyl-2-hydroxy-1-naphthalenyl)methyl]-7-ethyl-3-hydroxy-2-naphthalenecarboxylic acid IUPAC Name: 4-[(3-carboxy-6-ethyl-2-hydroxynaphthalen-1-yl)methyl]-7-ethyl-3-hydroxynaphthalene-2-carboxylic acid Traditional Name: 4-[(3-carboxy-6-ethyl-2-hydroxy-1-naphthyl)methyl]-7-ethyl-3-hydroxy-2-naphthoic acid Formula: C27H24O6 MolecularWeight: 444.47586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC(=C(C(=C2C=C1)CC3=C4C=CC(=CC4=CC(=C3O)C(=O)O)CC)O)C(=O)O

Isomeric SMILES

CCC1=CC2=CC(=C(C(=C2C=C1)CC3=C4C=CC(=CC4=CC(=C3O)C(=O)O)CC)O)C(=O)O

InChI

InChI=1S/C27H24O6/c1-3-14-5-7-18-16(9-14)11-22(26(30)31)24(28)20(18)13-21-19-8-6-15(4-2)10-17(19)12-23(25(21)29)27(32)33/h5-12,28-29H,3-4,13H2,1-2H3,(H,30,31)(H,32,33)