phenanthren-9-yl 4-methylbenzenesulfonate

Systemtic Name: phenanthren-9-yl 4-methylbenzenesulfonate Openeye Name: 9-phenanthryl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 9-phenanthrenyl ester IUPAC Name: phenanthren-9-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 9-phenanthryl ester Formula: C21H16O3S MolecularWeight: 348.41494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C21H16O3S/c1-15-10-12-17(13-11-15)25(22,23)24-21-14-16-6-2-3-7-18(16)19-8-4-5-9-20(19)21/h2-14H,1H3