3-[1-azanyl-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanylpropanoate

Systemtic Name: 3-[1-azanyl-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanylpropanoate Openeye Name: 3-[(1-amino-9,10-dioxo-2-anthryl)sulfanyl]propanoate CAS Name: 3-[(1-amino-9,10-dioxo-2-anthracenyl)thio]propanoate IUPAC Name: 3-(1-amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoate Traditional Name: 3-[(1-amino-9,10-diketo-2-anthryl)thio]propionate Formula: C17H12NO4S- MolecularWeight: 326.34648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)SCCC(=O)[O-])N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)SCCC(=O)[O-])N

InChI

InChI=1S/C17H13NO4S/c18-15-12(23-8-7-13(19)20)6-5-11-14(15)17(22)10-4-2-1-3-9(10)16(11)21/h1-6H,7-8,18H2,(H,19,20)/p-1