2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]-3-(triphenylmethyl)sulfanyl-propanoic acid

Systemtic Name: 2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]-3-(triphenylmethyl)sulfanyl-propanoic acid Openeye Name: 2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-tritylsulfanyl-propanoic acid CAS Name: 2-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-[(triphenylmethyl)thio]propanoic acid IUPAC Name: 2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-tritylsulfanylpropanoic acid Traditional Name: 2-[(6-ketocyclohexa-2,4-dien-1-ylidene)methylamino]-3-(tritylthio)propionic acid Formula: C29H25NO3S MolecularWeight: 467.5787

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)NC=C4C=CC=CC4=O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)NC=C4C=CC=CC4=O

InChI

InChI=1S/C29H25NO3S/c31-27-19-11-10-12-22(27)20-30-26(28(32)33)21-34-29(23-13-4-1-5-14-23,24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-20,26,30H,21H2,(H,32,33)