2-(9H-xanthen-9-ylamino)-3-(9H-xanthen-9-ylsulfanyl)propanoic acid

Systemtic Name: 2-(9H-xanthen-9-ylamino)-3-(9H-xanthen-9-ylsulfanyl)propanoic acid Openeye Name: 2-(9H-xanthen-9-ylamino)-3-(9H-xanthen-9-ylsulfanyl)propanoic acid CAS Name: 2-(9H-xanthen-9-ylamino)-3-(9H-xanthen-9-ylthio)propanoic acid IUPAC Name: 2-(9H-xanthen-9-ylamino)-3-(9H-xanthen-9-ylsulfanyl)propanoic acid Traditional Name: 2-(9H-xanthen-9-ylamino)-3-(9H-xanthen-9-ylthio)propionic acid Formula: C29H23NO4S MolecularWeight: 481.56222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)NC(CSC4C5=CC=CC=C5OC6=CC=CC=C46)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)NC(CSC4C5=CC=CC=C5OC6=CC=CC=C46)C(=O)O

InChI

InChI=1S/C29H23NO4S/c31-29(32)22(30-27-18-9-1-5-13-23(18)33-24-14-6-2-10-19(24)27)17-35-28-20-11-3-7-15-25(20)34-26-16-8-4-12-21(26)28/h1-16,22,27-28,30H,17H2,(H,31,32)