5-[2-(1,3-benzothiazol-2-yl)-5,6-dihydrobenzo[h]chromen-1-ium-4-yl]-2-methoxy-benzenesulfonic acid

Systemtic Name: 5-[2-(1,3-benzothiazol-2-yl)-5,6-dihydrobenzo[h]chromen-1-ium-4-yl]-2-methoxy-benzenesulfonic acid Openeye Name: 5-[2-(1,3-benzothiazol-2-yl)-5,6-dihydrobenzo[h]chromen-1-ium-4-yl]-2-methoxy-benzenesulfonic acid CAS Name: 5-[2-(1,3-benzothiazol-2-yl)-5,6-dihydrobenzo[h][1]benzopyran-1-ium-4-yl]-2-methoxybenzenesulfonic acid IUPAC Name: 5-[2-(1,3-benzothiazol-2-yl)-5,6-dihydrobenzo[h]chromen-1-ium-4-yl]-2-methoxybenzenesulfonic acid Traditional Name: 5-[2-(1,3-benzothiazol-2-yl)-5,6-dihydrobenzo[h]chromen-1-ium-4-yl]-2-methoxy-besylic acid Formula: C27H20NO5S2+ MolecularWeight: 502.5814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=[O+]C3=C2CCC4=CC=CC=C43)C5=NC6=CC=CC=C6S5)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=[O+]C3=C2CCC4=CC=CC=C43)C5=NC6=CC=CC=C6S5)S(=O)(=O)O

InChI

InChI=1S/C27H19NO5S2/c1-32-22-13-11-17(14-25(22)35(29,30)31)20-15-23(27-28-21-8-4-5-9-24(21)34-27)33-26-18-7-3-2-6-16(18)10-12-19(20)26/h2-9,11,13-15H,10,12H2,1H3/p+1