1-[4-chloranyl-7-methoxy-1-[1-(4-methylphenyl)sulfonyloxyethyl]-2,3-dihydro-1H-inden-2-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 1-[4-chloranyl-7-methoxy-1-[1-(4-methylphenyl)sulfonyloxyethyl]-2,3-dihydro-1H-inden-2-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 1-[4-chloro-7-methoxy-1-[1-(p-tolylsulfonyloxy)ethyl]indan-2-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-[4-chloro-7-methoxy-1-[1-(4-methylphenyl)sulfonyloxyethyl]-2,3-dihydro-1H-inden-2-yl]ethyl ester IUPAC Name: 1-[4-chloro-7-methoxy-1-[1-(4-methylphenyl)sulfonyloxyethyl]-2,3-dihydro-1H-inden-2-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-[4-chloro-7-methoxy-1-(1-tosyloxyethyl)indan-2-yl]ethyl ester Formula: C28H31ClO7S2 MolecularWeight: 579.12454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C2CC3=C(C=CC(=C3C2C(C)OS(=O)(=O)C4=CC=C(C=C4)C)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C2CC3=C(C=CC(=C3C2C(C)OS(=O)(=O)C4=CC=C(C=C4)C)OC)Cl

InChI

InChI=1S/C28H31ClO7S2/c1-17-6-10-21(11-7-17)37(30,31)35-19(3)23-16-24-25(29)14-15-26(34-5)28(24)27(23)20(4)36-38(32,33)22-12-8-18(2)9-13-22/h6-15,19-20,23,27H,16H2,1-5H3