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

Systemtic Name: 2-methoxy-5-[2-(4-sulfophenyl)-5,6-dihydrobenzo[h]chromen-1-ium-4-yl]benzenesulfonic acid Openeye Name: 2-methoxy-5-[2-(4-sulfophenyl)-5,6-dihydrobenzo[h]chromen-1-ium-4-yl]benzenesulfonic acid CAS Name: 2-methoxy-5-[2-(4-sulfophenyl)-5,6-dihydrobenzo[h][1]benzopyran-1-ium-4-yl]benzenesulfonic acid IUPAC Name: 2-methoxy-5-[2-(4-sulfophenyl)-5,6-dihydrobenzo[h]chromen-1-ium-4-yl]benzenesulfonic acid Traditional Name: 2-methoxy-5-[2-(4-sulfophenyl)-5,6-dihydrobenzo[h]chromen-1-ium-4-yl]besylic acid Formula: C26H21O8S2+ MolecularWeight: 525.57014

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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=C(C=C5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H20O8S2/c1-33-23-13-9-18(14-25(23)36(30,31)32)22-15-24(17-6-10-19(11-7-17)35(27,28)29)34-26-20-5-3-2-4-16(20)8-12-21(22)26/h2-7,9-11,13-15H,8,12H2,1H3,(H-,27,28,29,30,31,32)/p+1