2,3-bis[2,3,4,5,6,7,8,9-octakis(oxidanyl)nonyl]naphthalene-1-sulfonic acid

Systemtic Name: 2,3-bis[2,3,4,5,6,7,8,9-octakis(oxidanyl)nonyl]naphthalene-1-sulfonic acid Openeye Name: 2,3-bis(2,3,4,5,6,7,8,9-octahydroxynonyl)naphthalene-1-sulfonic acid CAS Name: 2,3-bis(2,3,4,5,6,7,8,9-octahydroxynonyl)-1-naphthalenesulfonic acid IUPAC Name: 2,3-bis(2,3,4,5,6,7,8,9-octahydroxynonyl)naphthalene-1-sulfonic acid Traditional Name: 2,3-bis(2,3,4,5,6,7,8,9-octahydroxynonyl)naphthalene-1-sulfonic acid Formula: C28H44O19S MolecularWeight: 716.70256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=C2S(=O)(=O)O)CC(C(C(C(C(C(C(CO)O)O)O)O)O)O)O)CC(C(C(C(C(C(C(CO)O)O)O)O)O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=C2S(=O)(=O)O)CC(C(C(C(C(C(C(CO)O)O)O)O)O)O)O)CC(C(C(C(C(C(C(CO)O)O)O)O)O)O)O

InChI

InChI=1S/C28H44O19S/c29-8-16(33)20(37)24(41)26(43)22(39)18(35)14(31)6-11-5-10-3-1-2-4-12(10)28(48(45,46)47)13(11)7-15(32)19(36)23(40)27(44)25(42)21(38)17(34)9-30/h1-5,14-27,29-44H,6-9H2,(H,45,46,47)