pyrene-1-sulfonate; tris(4-methoxyphenyl)sulfanium

Systemtic Name: pyrene-1-sulfonate; tris(4-methoxyphenyl)sulfanium Openeye Name: pyrene-1-sulfonate; tris(4-methoxyphenyl)sulfonium CAS Name: 1-pyrenesulfonate; tris(4-methoxyphenyl)sulfonium IUPAC Name: pyrene-1-sulfonate; tris(4-methoxyphenyl)sulfanium Traditional Name: pyrene-1-sulfonate; tris(4-methoxyphenyl)sulfonium Formula: C37H30O6S2 MolecularWeight: 634.7605

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC.C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC.C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C21H21O3S.C16H10O3S/c1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21;17-20(18,19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h4-15H,1-3H3;1-9H,(H,17,18,19)/q+1;/p-1