2-[4-(2-carboxyphenyl)sulfanyl-9,10-bis(oxidanylidene)anthracen-1-yl]sulfanylbenzoic acid

Systemtic Name: 2-[4-(2-carboxyphenyl)sulfanyl-9,10-bis(oxidanylidene)anthracen-1-yl]sulfanylbenzoic acid Openeye Name: 2-[[4-(2-carboxyphenyl)sulfanyl-9,10-dioxo-1-anthryl]sulfanyl]benzoic acid CAS Name: 2-[[4-[(2-carboxyphenyl)thio]-9,10-dioxo-1-anthracenyl]thio]benzoic acid IUPAC Name: 2-[4-(2-carboxyphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylbenzoic acid Traditional Name: 2-[[4-[(2-carboxyphenyl)thio]-9,10-diketo-1-anthryl]thio]benzoic acid Formula: C28H16O6S2 MolecularWeight: 512.55304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)SC4=CC=CC=C4C(=O)O)SC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)SC4=CC=CC=C4C(=O)O)SC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C28H16O6S2/c29-25-15-7-1-2-8-16(15)26(30)24-22(36-20-12-6-4-10-18(20)28(33)34)14-13-21(23(24)25)35-19-11-5-3-9-17(19)27(31)32/h1-14H,(H,31,32)(H,33,34)