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

Systemtic Name: 2-methoxy-5-(2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium-4-yl)benzenesulfonic acid Openeye Name: 2-methoxy-5-(2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium-4-yl)benzenesulfonic acid CAS Name: 2-methoxy-5-(2-phenyl-5,6-dihydrobenzo[h][1]benzopyran-1-ium-4-yl)benzenesulfonic acid IUPAC Name: 2-methoxy-5-(2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium-4-yl)benzenesulfonic acid Traditional Name: 2-methoxy-5-(2-phenyl-5,6-dihydrobenzo[h]chromen-1-ium-4-yl)besylic acid Formula: C26H21O5S+ MolecularWeight: 445.50694

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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=CC=CC=C5)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H20O5S/c1-30-23-14-12-19(15-25(23)32(27,28)29)22-16-24(18-8-3-2-4-9-18)31-26-20-10-6-5-7-17(20)11-13-21(22)26/h2-10,12,14-16H,11,13H2,1H3/p+1