sodium 3-[1-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxypropane-1-sulfonate

Systemtic Name: sodium 3-[1-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxypropane-1-sulfonate Openeye Name: sodium 3-[(1-hydroxy-9,10-dioxo-2-anthryl)oxy]propane-1-sulfonate CAS Name: sodium 3-[(1-hydroxy-9,10-dioxo-2-anthracenyl)oxy]-1-propanesulfonate IUPAC Name: sodium 3-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxypropane-1-sulfonate Traditional Name: sodium 3-[(1-hydroxy-9,10-diketo-2-anthryl)oxy]propane-1-sulfonate Formula: C17H13NaO7S MolecularWeight: 384.33569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)OCCCS(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)OCCCS(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C17H14O7S.Na/c18-15-10-4-1-2-5-11(10)16(19)14-12(15)6-7-13(17(14)20)24-8-3-9-25(21,22)23;/h1-2,4-7,20H,3,8-9H2,(H,21,22,23);/q;+1/p-1