4-methoxyaniline; 1-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-1-oxidanylidene-propane-2-sulfonic acid; hydrate

Systemtic Name: 4-methoxyaniline; 1-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-1-oxidanylidene-propane-2-sulfonic acid; hydrate Openeye Name: 1-[(4-hydroxy-9,10-dioxo-1-anthryl)amino]-1-oxo-propane-2-sulfonic acid; 4-methoxyaniline; hydrate CAS Name: 1-[(4-hydroxy-9,10-dioxo-1-anthracenyl)amino]-1-oxo-2-propanesulfonic acid; 4-methoxyaniline; hydrate IUPAC Name: 1-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]-1-oxopropane-2-sulfonic acid; 4-methoxyaniline; hydrate Traditional Name: 1-[(4-hydroxy-9,10-diketo-1-anthryl)amino]-1-keto-propane-2-sulfonic acid; p-anisidine; hydrate Formula: C24H24N2O9S MolecularWeight: 516.52036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)O.COC1=CC=C(C=C1)N.O

Isomeric SMILES

CC(C(=O)NC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)O.COC1=CC=C(C=C1)N.O

InChI

InChI=1S/C17H13NO7S.C7H9NO.H2O/c1-8(26(23,24)25)17(22)18-11-6-7-12(19)14-13(11)15(20)9-4-2-3-5-10(9)16(14)21;1-9-7-4-2-6(8)3-5-7;/h2-8,19H,1H3,(H,18,22)(H,23,24,25);2-5H,8H2,1H3;1H2