5-phenoxycarbothioyloxy-2-[(E)-2-(4-phenoxycarbothioyloxy-2-sulfo-phenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 5-phenoxycarbothioyloxy-2-[(E)-2-(4-phenoxycarbothioyloxy-2-sulfo-phenyl)ethenyl]benzenesulfonic acid Openeye Name: 5-phenoxycarbothioyloxy-2-[(E)-2-(4-phenoxycarbothioyloxy-2-sulfo-phenyl)vinyl]benzenesulfonic acid CAS Name: 5-[phenoxy(sulfanylidene)methoxy]-2-[(E)-2-[4-[phenoxy(sulfanylidene)methoxy]-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-phenoxycarbothioyloxy-2-[(E)-2-(4-phenoxycarbothioyloxy-2-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: 5-phenoxycarbothioyloxy-2-[(E)-2-(4-phenoxycarbothioyloxy-2-sulfo-phenyl)vinyl]besylic acid Formula: C28H20O10S4 MolecularWeight: 644.7124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=S)OC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)OC(=S)OC4=CC=CC=C4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(=S)OC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)OC(=S)OC4=CC=CC=C4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H20O10S4/c29-41(30,31)25-17-23(37-27(39)35-21-7-3-1-4-8-21)15-13-19(25)11-12-20-14-16-24(18-26(20)42(32,33)34)38-28(40)36-22-9-5-2-6-10-22/h1-18H,(H,29,30,31)(H,32,33,34)/b12-11+