[6-chloranyl-2-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromen-3-yl] naphthalene-2-sulfonate

Systemtic Name: [6-chloranyl-2-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromen-3-yl] naphthalene-2-sulfonate Openeye Name: [6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-chromen-3-yl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6-chloro-2-(3,4-dimethoxyphenyl)-4-oxochromen-3-yl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [6-chloro-2-(3,4-dimethoxyphenyl)-4-keto-chromen-3-yl] ester Formula: C27H19ClO7S MolecularWeight: 522.95356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OS(=O)(=O)C4=CC5=CC=CC=C5C=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OS(=O)(=O)C4=CC5=CC=CC=C5C=C4)OC

InChI

InChI=1S/C27H19ClO7S/c1-32-23-11-8-18(14-24(23)33-2)26-27(25(29)21-15-19(28)9-12-22(21)34-26)35-36(30,31)20-10-7-16-5-3-4-6-17(16)13-20/h3-15H,1-2H3