4-[6-[5,8-bis(chloranyl)-6,7-bis(oxidanyl)naphthalen-2-yl]-6-oxidanylidene-hexoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[6-[5,8-bis(chloranyl)-6,7-bis(oxidanyl)naphthalen-2-yl]-6-oxidanylidene-hexoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[6-(5,8-dichloro-6,7-dihydroxy-2-naphthyl)-6-oxo-hexoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[6-(5,8-dichloro-6,7-dihydroxy-2-naphthalenyl)-6-oxohexoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[6-(5,8-dichloro-6,7-dihydroxynaphthalen-2-yl)-6-oxohexoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[6-(5,8-dichloro-6,7-dihydroxy-2-naphthyl)-6-keto-hexoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C26H26Cl2O7 MolecularWeight: 521.38644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCC(=O)C2=CC3=C(C=C2)C(=C(C(=C3Cl)O)O)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCC(=O)C2=CC3=C(C=C2)C(=C(C(=C3Cl)O)O)Cl

InChI

InChI=1S/C26H26Cl2O7/c1-2-6-16-20(11-10-17(23(16)30)26(33)34)35-12-5-3-4-7-19(29)14-8-9-15-18(13-14)22(28)25(32)24(31)21(15)27/h8-11,13,30-32H,2-7,12H2,1H3,(H,33,34)