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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=C2C(=O)O)O)CC3=CC(=C(C4=C3C=CC(=C4)CC)C(=O)O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=C2C(=O)O)O)CC3=CC(=C(C4=C3C=CC(=C4)CC)C(=O)O)O

InChI

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