2-phenanthren-4-ylpropyl 4-methylbenzenesulfonate

Systemtic Name: 2-phenanthren-4-ylpropyl 4-methylbenzenesulfonate Openeye Name: 2-(4-phenanthryl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(4-phenanthrenyl)propyl ester IUPAC Name: 2-phenanthren-4-ylpropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(4-phenanthryl)propyl ester Formula: C24H22O3S MolecularWeight: 390.49468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C2=CC=CC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C2=CC=CC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C24H22O3S/c1-17-10-14-21(15-11-17)28(25,26)27-16-18(2)22-9-5-7-20-13-12-19-6-3-4-8-23(19)24(20)22/h3-15,18H,16H2,1-2H3