sodium 3-methoxy-7-oxidanylidene-benzo[a]phenalene-9-sulfonate

Systemtic Name: sodium 3-methoxy-7-oxidanylidene-benzo[a]phenalene-9-sulfonate Openeye Name: sodium 3-methoxy-7-oxo-benzo[a]phenalene-9-sulfonate CAS Name: sodium 3-methoxy-7-oxo-9-benzo[a]phenalenesulfonate IUPAC Name: sodium 3-methoxy-7-oxobenzo[a]phenalene-9-sulfonate Traditional Name: sodium 7-keto-3-methoxy-benzo[a]phenalene-9-sulfonate Formula: C18H11NaO5S MolecularWeight: 362.33171

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=CC=C3C2=C(C=C1)C4=C(C3=O)C=C(C=C4)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=C2C=CC=C3C2=C(C=C1)C4=C(C3=O)C=C(C=C4)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H12O5S.Na/c1-23-16-8-7-12-11-6-5-10(24(20,21)22)9-15(11)18(19)14-4-2-3-13(16)17(12)14;/h2-9H,1H3,(H,20,21,22);/q;+1/p-1