benzene-1,2,3-triol; [nitro(phenyl)methyl] 9,10-diethoxyanthracene-2-sulfonate

Systemtic Name: benzene-1,2,3-triol; [nitro(phenyl)methyl] 9,10-diethoxyanthracene-2-sulfonate Openeye Name: benzene-1,2,3-triol; [nitro(phenyl)methyl] 9,10-diethoxyanthracene-2-sulfonate CAS Name: benzene-1,2,3-triol; 9,10-diethoxy-2-anthracenesulfonic acid [nitro(phenyl)methyl] ester IUPAC Name: benzene-1,2,3-triol; [nitro(phenyl)methyl] 9,10-diethoxyanthracene-2-sulfonate Traditional Name: 9,10-diethoxyanthracene-2-sulfonic acid [nitro(phenyl)methyl] ester; pyrogallol Formula: C31H29NO10S MolecularWeight: 607.62766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OCC)S(=O)(=O)OC(C4=CC=CC=C4)[N+](=O)[O-].C1=CC(=C(C(=C1)O)O)O

Isomeric SMILES

CCOC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OCC)S(=O)(=O)OC(C4=CC=CC=C4)[N+](=O)[O-].C1=CC(=C(C(=C1)O)O)O

InChI

InChI=1S/C25H23NO7S.C6H6O3/c1-3-31-23-19-12-8-9-13-20(19)24(32-4-2)22-16-18(14-15-21(22)23)34(29,30)33-25(26(27)28)17-10-6-5-7-11-17;7-4-2-1-3-5(8)6(4)9/h5-16,25H,3-4H2,1-2H3;1-3,7-9H