[(E,12S)-17,19,21-trimethyl-22-oxidanylidene-tetracos-20-en-12-yl] (2R)-2-methoxy-2-naphthalen-2-yl-ethanoate

Systemtic Name: [(E,12S)-17,19,21-trimethyl-22-oxidanylidene-tetracos-20-en-12-yl] (2R)-2-methoxy-2-naphthalen-2-yl-ethanoate Openeye Name: [(E,1S)-6,8,10-trimethyl-11-oxo-1-undecyl-tridec-9-enyl] (2R)-2-methoxy-2-(2-naphthyl)acetate CAS Name: (2R)-2-methoxy-2-(2-naphthalenyl)acetic acid [(E,12S)-17,19,21-trimethyl-22-oxotetracos-20-en-12-yl] ester IUPAC Name: [(E,12S)-17,19,21-trimethyl-22-oxotetracos-20-en-12-yl] (2R)-2-methoxy-2-naphthalen-2-ylacetate Traditional Name: (2R)-2-methoxy-2-(2-naphthyl)acetic acid [(E,1S)-11-keto-6,8,10-trimethyl-1-undecyl-tridec-9-enyl] ester Formula: C40H62O4 MolecularWeight: 606.91788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCC(C)CC(C)C=C(C)C(=O)CC)OC(=O)C(C1=CC2=CC=CC=C2C=C1)OC

Isomeric SMILES

CCCCCCCCCCC[C@@H](CCCCC(C)CC(C)/C=C(\C)/C(=O)CC)OC(=O)[C@@H](C1=CC2=CC=CC=C2C=C1)OC

InChI

InChI=1S/C40H62O4/c1-7-9-10-11-12-13-14-15-16-24-37(25-20-17-21-31(3)28-32(4)29-33(5)38(41)8-2)44-40(42)39(43-6)36-27-26-34-22-18-19-23-35(34)30-36/h18-19,22-23,26-27,29-32,37,39H,7-17,20-21,24-25,28H2,1-6H3/b33-29+/t31?,32?,37-,39+/m0/s1