4-[7-naphthalen-2-yl-6,9-bis(oxidanyl)-9-oxidanylidene-nonoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[7-naphthalen-2-yl-6,9-bis(oxidanyl)-9-oxidanylidene-nonoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[6,9-dihydroxy-7-(2-naphthyl)-9-oxo-nonoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6,9-dihydroxy-7-(2-naphthalenyl)-9-oxononoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-(6,9-dihydroxy-7-naphthalen-2-yl-9-oxononoxy)-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[6,9-dihydroxy-9-keto-7-(2-naphthyl)nonoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C29H34O7 MolecularWeight: 494.57606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCC(C(CC(=O)O)C2=CC3=CC=CC=C3C=C2)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCC(C(CC(=O)O)C2=CC3=CC=CC=C3C=C2)O

InChI

InChI=1S/C29H34O7/c1-2-8-22-26(15-14-23(28(22)33)29(34)35)36-16-7-3-4-11-25(30)24(18-27(31)32)21-13-12-19-9-5-6-10-20(19)17-21/h5-6,9-10,12-15,17,24-25,30,33H,2-4,7-8,11,16,18H2,1H3,(H,31,32)(H,34,35)