oxidanium; [4-[3-[bis(oxidanyl)methyl]-2-oxidanyl-naphthalen-1-yl]-3-oxidanyl-naphthalen-2-yl]methanediol; [4-(3-carboxy-2-oxidanyl-naphthalen-1-yl)-3-oxidanyl-naphthalen-2-yl]-oxidanyl-methanolate; zinc; hexahydrate

Systemtic Name: oxidanium; [4-[3-[bis(oxidanyl)methyl]-2-oxidanyl-naphthalen-1-yl]-3-oxidanyl-naphthalen-2-yl]methanediol; [4-(3-carboxy-2-oxidanyl-naphthalen-1-yl)-3-oxidanyl-naphthalen-2-yl]-oxidanyl-methanolate; zinc; hexahydrate Openeye Name: oxonium; [4-(3-carboxy-2-hydroxy-1-naphthyl)-3-hydroxy-2-naphthyl]-hydroxy-methanolate; [4-[3-(dihydroxymethyl)-2-hydroxy-1-naphthyl]-3-hydroxy-2-naphthyl]methanediol; zinc; hexahydrate CAS Name: oxonium; [4-(3-carboxy-2-hydroxy-1-naphthalenyl)-3-hydroxy-2-naphthalenyl]-hydroxymethanolate; [4-[3-(dihydroxymethyl)-2-hydroxy-1-naphthalenyl]-3-hydroxy-2-naphthalenyl]methanediol; zinc; hexahydrate IUPAC Name: oxidanium; [4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]-hydroxymethanolate; [4-[3-(dihydroxymethyl)-2-hydroxynaphthalen-1-yl]-3-hydroxynaphthalen-2-yl]methanediol; zinc; hexahydrate Traditional Name: oxonium; [4-(3-carboxy-2-hydroxy-1-naphthyl)-3-hydroxy-2-naphthyl]-hydroxy-methanolate; [4-[3-(dihydroxymethyl)-2-hydroxy-1-naphthyl]-3-hydroxy-2-naphthyl]methanediol; zinc; hexahydrate Formula: C44H48O19Zn6 MolecularWeight: 1273.29452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)C(O)O)O)O)C(O)O.C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(O)[O-].[OH3+].O.O.O.O.O.O.[Zn].[Zn].[Zn].[Zn].[Zn].[Zn]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)C(O)O)O)O)C(O)O.C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(O)[O-].[OH3+].O.O.O.O.O.O.[Zn].[Zn].[Zn].[Zn].[Zn].[Zn]

InChI

InChI=1S/C22H18O6.C22H15O6.7H2O.6Zn/c2*23-19-15(21(25)26)9-11-5-1-3-7-13(11)17(19)18-14-8-4-2-6-12(14)10-16(20(18)24)22(27)28;;;;;;;;;;;;;/h1-10,21-28H;1-10,21,23-25H,(H,27,28);7*1H2;;;;;;/q;-1;;;;;;;;;;;;;/p+1