6-methylnonyl 4-methylbenzenesulfonate

Systemtic Name: 6-methylnonyl 4-methylbenzenesulfonate Openeye Name: 6-methylnonyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 6-methylnonyl ester IUPAC Name: 6-methylnonyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 6-methylnonyl ester Formula: C17H28O3S MolecularWeight: 312.46742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CCCCCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCC(C)CCCCCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C17H28O3S/c1-4-8-15(2)9-6-5-7-14-20-21(18,19)17-12-10-16(3)11-13-17/h10-13,15H,4-9,14H2,1-3H3