3-phenyl-4-(12-prop-2-enoyloxydodecoxy)-1-thiophen-2-yl-naphthalene-2-carboxylic acid

Systemtic Name: 3-phenyl-4-(12-prop-2-enoyloxydodecoxy)-1-thiophen-2-yl-naphthalene-2-carboxylic acid Openeye Name: 3-phenyl-4-(12-prop-2-enoyloxydodecoxy)-1-(2-thienyl)naphthalene-2-carboxylic acid CAS Name: 4-[12-(1-oxoprop-2-enoxy)dodecoxy]-3-phenyl-1-thiophen-2-yl-2-naphthalenecarboxylic acid IUPAC Name: 3-phenyl-4-(12-prop-2-enoyloxydodecoxy)-1-thiophen-2-ylnaphthalene-2-carboxylic acid Traditional Name: 4-(12-acryloyloxydodecoxy)-3-phenyl-1-(2-thienyl)-2-naphthoic acid Formula: C36H40O5S MolecularWeight: 584.7648

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OCCCCCCCCCCCCOC1=C(C(=C(C2=CC=CC=C21)C3=CC=CS3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C=CC(=O)OCCCCCCCCCCCCOC1=C(C(=C(C2=CC=CC=C21)C3=CC=CS3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C36H40O5S/c1-2-31(37)40-24-16-9-7-5-3-4-6-8-10-17-25-41-35-29-22-15-14-21-28(29)33(30-23-18-26-42-30)34(36(38)39)32(35)27-19-12-11-13-20-27/h2,11-15,18-23,26H,1,3-10,16-17,24-25H2,(H,38,39)