[15-[[2,6-di(propan-2-yl)phenyl]amino]-15-oxidanylidene-pentadecyl] 4-methylbenzenesulfonate

Systemtic Name: [15-[[2,6-di(propan-2-yl)phenyl]amino]-15-oxidanylidene-pentadecyl] 4-methylbenzenesulfonate Openeye Name: [15-(2,6-diisopropylanilino)-15-oxo-pentadecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [15-[2,6-di(propan-2-yl)anilino]-15-oxopentadecyl] ester IUPAC Name: [15-[2,6-di(propan-2-yl)anilino]-15-oxopentadecyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [15-(2,6-diisopropylanilino)-15-keto-pentadecyl] ester Formula: C34H53NO4S MolecularWeight: 571.85392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCCCCC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCCCCCCCC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

InChI

InChI=1S/C34H53NO4S/c1-27(2)31-19-18-20-32(28(3)4)34(31)35-33(36)21-16-14-12-10-8-6-7-9-11-13-15-17-26-39-40(37,38)30-24-22-29(5)23-25-30/h18-20,22-25,27-28H,6-17,21,26H2,1-5H3,(H,35,36)