(3E)-2-(2-adamantylidene)-3-(1-thiophen-3-ylethylidene)butanedioic acid

Systemtic Name: (3E)-2-(2-adamantylidene)-3-(1-thiophen-3-ylethylidene)butanedioic acid Openeye Name: (3E)-2-(2-adamantylidene)-3-[1-(3-thienyl)ethylidene]butanedioic acid CAS Name: (3E)-2-(2-adamantylidene)-3-[1-(3-thiophenyl)ethylidene]butanedioic acid IUPAC Name: (3E)-2-(2-adamantylidene)-3-(1-thiophen-3-ylethylidene)butanedioic acid Traditional Name: (3E)-2-(2-adamantylidene)-3-[1-(3-thienyl)ethylidene]succinic acid Formula: C20H22O4S MolecularWeight: 358.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=C1C2CC3CC(C2)CC1C3)C(=O)O)C(=O)O)C4=CSC=C4

Isomeric SMILES

C/C(=C(/C(=C1C2CC3CC(C2)CC1C3)C(=O)O)\C(=O)O)/C4=CSC=C4

InChI

InChI=1S/C20H22O4S/c1-10(13-2-3-25-9-13)16(19(21)22)18(20(23)24)17-14-5-11-4-12(7-14)8-15(17)6-11/h2-3,9,11-12,14-15H,4-8H2,1H3,(H,21,22)(H,23,24)/b16-10+,18-17?